[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butyric acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22ClN3O6 MolecularWeight: 411.83678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1CC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)OC(C)C(=O)NC1CC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN3O6/c1-9(2)15(18(25)28-10(3)16(23)20-12-5-6-12)21-17(24)11-4-7-13(19)14(8-11)22(26)27/h4,7-10,12,15H,5-6H2,1-3H3,(H,20,23)(H,21,24)