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

Systemtic Name: methyl 4-chloranyl-2-[[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]amino]benzoate Openeye Name: methyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]amino]-4-chloro-benzoate CAS Name: 4-chloro-2-[[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]-4-chlorobenzoate Traditional Name: 2-[[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]amino]-4-chloro-benzoic acid methyl ester Formula: C19H16ClN3O3 MolecularWeight: 369.80164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC=C(C#N)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)N/C=C(\C#N)/C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C19H16ClN3O3/c1-26-19(25)16-8-7-15(20)9-17(16)22-12-14(10-21)18(24)23-11-13-5-3-2-4-6-13/h2-9,12,22H,11H2,1H3,(H,23,24)/b14-12+