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

Systemtic Name: 4-[(2-cyano-3-pyridin-3-yl-prop-2-enoyl)amino]benzoic acid Openeye Name: 4-[[2-cyano-3-(3-pyridyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[2-cyano-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 4-[(2-cyano-3-pyridin-3-ylprop-2-enoyl)amino]benzoic acid Traditional Name: 4-[[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(=CN=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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