2-[(2-cyano-3-pyridin-3-yl-prop-2-enoyl)amino]benzoic acid

Systemtic Name: 2-[(2-cyano-3-pyridin-3-yl-prop-2-enoyl)amino]benzoic acid Openeye Name: 2-[[2-cyano-3-(3-pyridyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[2-cyano-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 2-[(2-cyano-3-pyridin-3-ylprop-2-enoyl)amino]benzoic acid Traditional Name: 2-[[2-cyano-3-(3-pyridyl)acryloyl]amino]benzoic acid Formula: C16H11N3O3 MolecularWeight: 293.27684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O3/c17-9-12(8-11-4-3-7-18-10-11)15(20)19-14-6-2-1-5-13(14)16(21)22/h1-8,10H,(H,19,20)(H,21,22)