4-[(E)-3-[(3-chloranyl-4-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-3-[(3-chloranyl-4-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-(3-chloro-4-methyl-anilino)-2-cyano-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(3-chloro-4-methylanilino)-2-cyano-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-(3-chloro-4-methylanilino)-2-cyano-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(3-chloro-4-methyl-anilino)-2-cyano-3-keto-prop-1-enyl]benzoate Formula: C18H12ClN2O3- MolecularWeight: 339.75248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C#N)Cl

InChI

InChI=1S/C18H13ClN2O3/c1-11-2-7-15(9-16(11)19)21-17(22)14(10-20)8-12-3-5-13(6-4-12)18(23)24/h2-9H,1H3,(H,21,22)(H,23,24)/p-1/b14-8+