[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H20N2O7/c1-12(18(22)20-11-13-7-5-4-6-8-13)28-19(23)14-9-16(26-2)17(27-3)10-15(14)21(24)25/h4-10,12H,11H2,1-3H3,(H,20,22)