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

Systemtic Name: 4-[(3Z)-5-azanyl-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indol-4-yl]benzoic acid Openeye Name: 4-[(3Z)-5-amino-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2-oxo-indolin-4-yl]benzoic acid CAS Name: 4-[(3Z)-5-amino-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]benzoic acid IUPAC Name: 4-[(3Z)-5-amino-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]benzoic acid Traditional Name: 4-[(3Z)-5-amino-2-keto-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]indolin-4-yl]benzoic acid Formula: C21H17N3O4 MolecularWeight: 375.37738

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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)NC2=O

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4/c1-28-17-8-9-23-16(17)10-13-19-15(24-20(13)25)7-6-14(22)18(19)11-2-4-12(5-3-11)21(26)27/h2-10,23H,22H2,1H3,(H,24,25)(H,26,27)/b13-10-