4-[(3Z)-3-(1H-indol-3-ylmethylidene)-5-isocyano-4-methyl-2,6-bis(oxidanylidene)pyridin-1-yl]benzoic acid

Systemtic Name: 4-[(3Z)-3-(1H-indol-3-ylmethylidene)-5-isocyano-4-methyl-2,6-bis(oxidanylidene)pyridin-1-yl]benzoic acid Openeye Name: 4-[(3Z)-3-(1H-indol-3-ylmethylene)-5-isocyano-4-methyl-2,6-dioxo-1-pyridyl]benzoic acid CAS Name: 4-[(3Z)-3-(1H-indol-3-ylmethylidene)-5-isocyano-4-methyl-2,6-dioxo-1-pyridinyl]benzoic acid IUPAC Name: 4-[(3Z)-3-(1H-indol-3-ylmethylidene)-5-isocyano-4-methyl-2,6-dioxopyridin-1-yl]benzoic acid Traditional Name: 4-[(3Z)-3-(1H-indol-3-ylmethylene)-5-isocyano-2,6-diketo-4-methyl-1-pyridyl]benzoic acid Formula: C23H15N3O4 MolecularWeight: 397.3829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)C1=CC2=CNC3=CC=CC=C32)C4=CC=C(C=C4)C(=O)O)[N+]#[C-]

Isomeric SMILES

CC\1=C(C(=O)N(C(=O)/C1=C\C2=CNC3=CC=CC=C32)C4=CC=C(C=C4)C(=O)O)[N+]#[C-]

InChI

InChI=1S/C23H15N3O4/c1-13-18(11-15-12-25-19-6-4-3-5-17(15)19)21(27)26(22(28)20(13)24-2)16-9-7-14(8-10-16)23(29)30/h3-12,25H,1H3,(H,29,30)/b18-11-