4-[[(Z)-(6-ethoxycarbonyl-2-oxidanylidene-1H-indol-3-ylidene)-phenyl-methyl]amino]benzoic acid

Systemtic Name: 4-[[(Z)-(6-ethoxycarbonyl-2-oxidanylidene-1H-indol-3-ylidene)-phenyl-methyl]amino]benzoic acid Openeye Name: 4-[[(Z)-(6-ethoxycarbonyl-2-oxo-indolin-3-ylidene)-phenyl-methyl]amino]benzoic acid CAS Name: 4-[[(Z)-(6-ethoxycarbonyl-2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]benzoic acid IUPAC Name: 4-[[(Z)-(6-ethoxycarbonyl-2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]benzoic acid Traditional Name: 4-[[(Z)-(6-carbethoxy-2-keto-indolin-3-ylidene)-phenyl-methyl]amino]benzoic acid Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=C(C3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)O)C(=O)N2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)/C(=C(\C3=CC=CC=C3)/NC4=CC=C(C=C4)C(=O)O)/C(=O)N2

InChI

InChI=1S/C25H20N2O5/c1-2-32-25(31)17-10-13-19-20(14-17)27-23(28)21(19)22(15-6-4-3-5-7-15)26-18-11-8-16(9-12-18)24(29)30/h3-14,26H,2H2,1H3,(H,27,28)(H,29,30)/b22-21-