2-[3-[(E)-2-cyano-3-[(4-cyanophenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(E)-2-cyano-3-[(4-cyanophenyl)amino]-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-(4-cyanoanilino)-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-(4-cyanoanilino)-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-(4-cyanoanilino)-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-2-cyano-3-(4-cyanoanilino)-3-keto-prop-1-enyl]indol-1-yl]acetic acid Formula: C21H14N4O3 MolecularWeight: 370.36086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=C(C#N)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC(=O)O)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H14N4O3/c22-10-14-5-7-17(8-6-14)24-21(28)15(11-23)9-16-12-25(13-20(26)27)19-4-2-1-3-18(16)19/h1-9,12H,13H2,(H,24,28)(H,26,27)/b15-9+