[2-oxidanylidene-2-(propylamino)ethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(propylamino)ethyl] (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butyric acid [2-keto-2-(propylamino)ethyl] ester Formula: C17H22ClN3O6 MolecularWeight: 399.82608

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C(C(C)C)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)COC(=O)[C@H](C(C)C)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H22ClN3O6/c1-4-7-19-14(22)9-27-17(24)15(10(2)3)20-16(23)11-5-6-12(18)13(8-11)21(25)26/h5-6,8,10,15H,4,7,9H2,1-3H3,(H,19,22)(H,20,23)/t15-/m0/s1