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72U : Summary

Code

72U

One-letter code

X

Molecule name

methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate

Formula

C10 H7 N O4

Formal charge

0

Molecular weight

205.167 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COC(=O)c1cccc2C(=O)C(=O)Nc12
SMILES OpenEye OEToolkits 2.0.5 COC(=O)c1cccc2c1NC(=O)C2=O
Canonical SMILES CACTVS 3.385 COC(=O)c1cccc2C(=O)C(=O)Nc12
Canonical SMILES OpenEye OEToolkits 2.0.5 COC(=O)c1cccc2c1NC(=O)C2=O

IUPAC InChI

InChI=1S/C10H7NO4/c1-15-10(14)6-4-2-3-5-7(6)11-9(13)8(5)12/h2-4H,1H3,(H,11,12,13)

IUPAC InChI key

BKMLLFWFPNUDNF-UHFFFAOYSA-N
72U

wwPDB Information

Atom count

22 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-08-18

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned