[1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H21N3O5 MolecularWeight: 335.35504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5/c1-3-8-17-15(20)10(2)24-16(21)11-4-7-13(18-12-5-6-12)14(9-11)19(22)23/h4,7,9-10,12,18H,3,5-6,8H2,1-2H3,(H,17,20)