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

Systemtic Name: 3-[[3-(4-carboxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(4-carboxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(4-carboxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(4-carboxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(4-carboxyphenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C18H12N2O5 MolecularWeight: 336.29828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N)C(=O)O

InChI

InChI=1S/C18H12N2O5/c19-10-14(8-11-4-6-12(7-5-11)17(22)23)16(21)20-15-3-1-2-13(9-15)18(24)25/h1-9H,(H,20,21)(H,22,23)(H,24,25)