[1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-13(18(23)21(3)12-14-7-5-4-6-8-14)27-19(24)15-9-10-16(20-2)17(11-15)22(25)26/h4-11,13,20H,12H2,1-3H3