4-[[(E)-2-cyano-3-(3-cyanophenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-cyano-3-(3-cyanophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-(3-cyanophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-(3-cyanophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-(3-cyanophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-(3-cyanophenyl)acryloyl]amino]benzoic acid Formula: C18H11N3O3 MolecularWeight: 317.29824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C18H11N3O3/c19-10-13-3-1-2-12(8-13)9-15(11-20)17(22)21-16-6-4-14(5-7-16)18(23)24/h1-9H,(H,21,22)(H,23,24)/b15-9+