[3,3-bis(chloranyl)-4-oxidanylidene-4-[(phenylmethyl)-prop-2-enyl-amino]butan-2-yl] benzoate

Systemtic Name: [3,3-bis(chloranyl)-4-oxidanylidene-4-[(phenylmethyl)-prop-2-enyl-amino]butan-2-yl] benzoate Openeye Name: [3-[allyl(benzyl)amino]-2,2-dichloro-1-methyl-3-oxo-propyl] benzoate CAS Name: benzoic acid [3,3-dichloro-4-oxo-4-[(phenylmethyl)-prop-2-enylamino]butan-2-yl] ester IUPAC Name: [4-[benzyl(prop-2-enyl)amino]-3,3-dichloro-4-oxobutan-2-yl] benzoate Traditional Name: benzoic acid [3-[allyl(benzyl)amino]-2,2-dichloro-3-keto-1-methyl-propyl] ester Formula: C21H21Cl2NO3 MolecularWeight: 406.30234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N(CC=C)CC1=CC=CC=C1)(Cl)Cl)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(C(=O)N(CC=C)CC1=CC=CC=C1)(Cl)Cl)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H21Cl2NO3/c1-3-14-24(15-17-10-6-4-7-11-17)20(26)21(22,23)16(2)27-19(25)18-12-8-5-9-13-18/h3-13,16H,1,14-15H2,2H3