2-[[(E)-2-cyano-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(6-methoxy-2-naphthyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-(6-methoxy-2-naphthalenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(6-methoxy-2-naphthyl)acryloyl]amino]benzoic acid Formula: C22H16N2O4 MolecularWeight: 372.37344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H16N2O4/c1-28-18-9-8-15-10-14(6-7-16(15)12-18)11-17(13-23)21(25)24-20-5-3-2-4-19(20)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)/b17-11+