(Z)-4-(4-chloranyl-3-methyl-phenoxy)-2-cyano-3-oxidanylidene-1-[(phenylmethyl)amino]but-1-en-1-olate

Systemtic Name: (Z)-4-(4-chloranyl-3-methyl-phenoxy)-2-cyano-3-oxidanylidene-1-[(phenylmethyl)amino]but-1-en-1-olate Openeye Name: (Z)-1-(benzylamino)-4-(4-chloro-3-methyl-phenoxy)-2-cyano-3-oxo-but-1-en-1-olate CAS Name: (Z)-4-(4-chloro-3-methylphenoxy)-2-cyano-3-oxo-1-[(phenylmethyl)amino]-1-buten-1-olate IUPAC Name: (Z)-1-(benzylamino)-4-(4-chloro-3-methylphenoxy)-2-cyano-3-oxobut-1-en-1-olate Traditional Name: (Z)-1-(benzylamino)-4-(4-chloro-3-methyl-phenoxy)-2-cyano-3-keto-but-1-en-1-olate Formula: C19H16ClN2O3- MolecularWeight: 355.79494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)C(=C(NCC2=CC=CC=C2)[O-])C#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)/C(=C(/NCC2=CC=CC=C2)\[O-])/C#N)Cl

InChI

InChI=1S/C19H17ClN2O3/c1-13-9-15(7-8-17(13)20)25-12-18(23)16(10-21)19(24)22-11-14-5-3-2-4-6-14/h2-9,22,24H,11-12H2,1H3/p-1/b19-16-