3-[[2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(2-methoxy-1-naphthyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(2-methoxy-1-naphthalenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(2-methoxy-1-naphthyl)acryloyl]amino]benzoic acid Formula: C22H16N2O4 MolecularWeight: 372.37344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H16N2O4/c1-28-20-10-9-14-5-2-3-8-18(14)19(20)12-16(13-23)21(25)24-17-7-4-6-15(11-17)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)