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

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(cycloheptylamino)-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-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-butyric acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H30ClN3O6 MolecularWeight: 467.9431

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1CCCCCC1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(C(=O)OC(C)C(=O)NC1CCCCCC1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H30ClN3O6/c1-13(2)19(25-21(28)17-11-10-16(26(30)31)12-18(17)23)22(29)32-14(3)20(27)24-15-8-6-4-5-7-9-15/h10-15,19H,4-9H2,1-3H3,(H,24,27)(H,25,28)