3-[2-[(Z)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[(Z)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(Z)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(Z)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(Z)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]pyrrol-1-yl]benzoic acid Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=CN2C3=CC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C\C2=CC=CN2C3=CC=CC(=C3)C(=O)O)/C#N

InChI

InChI=1S/C22H17N3O3/c23-14-18(21(26)24-15-16-6-2-1-3-7-16)13-20-10-5-11-25(20)19-9-4-8-17(12-19)22(27)28/h1-13H,15H2,(H,24,26)(H,27,28)/b18-13-