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

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H19N3O6 MolecularWeight: 385.37066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6/c1-12-8-9-15(10-16(12)22(26)27)18(24)28-13(2)17(23)21-19(25)20-11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H2,20,21,23,25)