4-[[2-cyano-3-[4-(diphenylamino)phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[2-cyano-3-[4-(diphenylamino)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[2-cyano-3-[4-(N-phenylanilino)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[2-cyano-1-oxo-3-[4-(N-phenylanilino)phenyl]prop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[2-cyano-3-[4-(N-phenylanilino)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[2-cyano-3-[4-(N-phenylanilino)phenyl]acryloyl]amino]benzoic acid Formula: C29H21N3O3 MolecularWeight: 459.49534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C=C(C#N)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C=C(C#N)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H21N3O3/c30-20-23(28(33)31-24-15-13-22(14-16-24)29(34)35)19-21-11-17-27(18-12-21)32(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-19H,(H,31,33)(H,34,35)