[1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-4-7-17-15(21)11(3)25-14(20)9-18-16(22)12-5-6-13(19(23)24)10(2)8-12/h5-6,8,11H,4,7,9H2,1-3H3,(H,17,21)(H,18,22)