4-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-2-oxidanylidene-1H-indol-4-yl]benzoic acid

Systemtic Name: 4-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-2-oxidanylidene-1H-indol-4-yl]benzoic acid Openeye Name: 4-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-5-nitro-2-oxo-indolin-4-yl]benzoic acid CAS Name: 4-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-2-oxo-1H-indol-4-yl]benzoic acid IUPAC Name: 4-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-2-oxo-1H-indol-4-yl]benzoic acid Traditional Name: 4-[(3Z)-2-keto-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-5-nitro-indolin-4-yl]benzoic acid Formula: C21H15N3O6 MolecularWeight: 405.3603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC=C1)C=C2C3=C(C=CC(=C3C4=CC=C(C=C4)C(=O)O)[N+](=O)[O-])NC2=O

Isomeric SMILES

COC1=C(NC=C1)/C=C\2/C3=C(C=CC(=C3C4=CC=C(C=C4)C(=O)O)[N+](=O)[O-])NC2=O

InChI

InChI=1S/C21H15N3O6/c1-30-17-8-9-22-15(17)10-13-19-14(23-20(13)25)6-7-16(24(28)29)18(19)11-2-4-12(5-3-11)21(26)27/h2-10,22H,1H3,(H,23,25)(H,26,27)/b13-10-