(phenylmethyl) N-(3-methylbutyl)-N-[[(2S)-4-nitro-3-oxidanylidene-1-phenyl-butan-2-yl]carbamoyl]carbamate

Systemtic Name: (phenylmethyl) N-(3-methylbutyl)-N-[[(2S)-4-nitro-3-oxidanylidene-1-phenyl-butan-2-yl]carbamoyl]carbamate Openeye Name: benzyl N-[[(1S)-1-benzyl-3-nitro-2-oxo-propyl]carbamoyl]-N-isopentyl-carbamate CAS Name: N-(3-methylbutyl)-N-[[[(2S)-4-nitro-3-oxo-1-phenylbutan-2-yl]amino]-oxomethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(3-methylbutyl)-N-[[(2S)-4-nitro-3-oxo-1-phenylbutan-2-yl]carbamoyl]carbamate Traditional Name: N-[[(1S)-1-benzyl-2-keto-3-nitro-propyl]carbamoyl]-N-isoamyl-carbamic acid benzyl ester Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)NC(CC1=CC=CC=C1)C(=O)C[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O6/c1-18(2)13-14-26(24(30)33-17-20-11-7-4-8-12-20)23(29)25-21(22(28)16-27(31)32)15-19-9-5-3-6-10-19/h3-12,18,21H,13-17H2,1-2H3,(H,25,29)/t21-/m0/s1