2-[[(E)-2-cyano-3-naphthalen-1-yl-prop-2-enoyl]amino]benzoate

Systemtic Name: 2-[[(E)-2-cyano-3-naphthalen-1-yl-prop-2-enoyl]amino]benzoate Openeye Name: 2-[[(E)-2-cyano-3-(1-naphthyl)prop-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-2-cyano-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 2-[[(E)-2-cyano-3-naphthalen-1-ylprop-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-2-cyano-3-(1-naphthyl)acryloyl]amino]benzoate Formula: C21H13N2O3- MolecularWeight: 341.33952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C21H14N2O3/c22-13-16(12-15-8-5-7-14-6-1-2-9-17(14)15)20(24)23-19-11-4-3-10-18(19)21(25)26/h1-12H,(H,23,24)(H,25,26)/p-1/b16-12+