[4-[(E)-3-[(2-chloranyl-6-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] naphthalene-1-carboxylate

Systemtic Name: [4-[(E)-3-[(2-chloranyl-6-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] naphthalene-1-carboxylate Openeye Name: [4-[(E)-3-(2-chloro-6-methyl-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [4-[(E)-3-(2-chloro-6-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(2-chloro-6-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [4-[(E)-3-(2-chloro-6-methyl-anilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C29H21ClN2O4 MolecularWeight: 496.94104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43)OC)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43)OC)/C#N

InChI

InChI=1S/C29H21ClN2O4/c1-18-7-5-12-24(30)27(18)32-28(33)21(17-31)15-19-13-14-25(26(16-19)35-2)36-29(34)23-11-6-9-20-8-3-4-10-22(20)23/h3-16H,1-2H3,(H,32,33)/b21-15+