Chemical Components in the PDB

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E92 : Summary

Code

E92

One-letter code

X

Molecule name

~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide

Formula

C16 H10 Cl N O3

Formal charge

0

Molecular weight

299.709 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Clc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl
Canonical SMILES CACTVS 3.385 Clc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl

IUPAC InChI

InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)

IUPAC InChI key

CVLFPXGWUQAEEW-UHFFFAOYSA-N
E92

wwPDB Information

Atom count

31 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-03-05

Last modified at

2018-04-20

Status

Released

Obsoleted

Not Assigned