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

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-butyric acid [2-(allylamino)-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)NCC=C)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(C(=O)OC(C)C(=O)NCC=C)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H22ClN3O6/c1-5-8-20-16(23)11(4)28-18(25)15(10(2)3)21-17(24)13-7-6-12(22(26)27)9-14(13)19/h5-7,9-11,15H,1,8H2,2-4H3,(H,20,23)(H,21,24)