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

Systemtic Name: (phenylmethyl) N-(2-naphthalen-2-ylethyl)-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-[2-(2-naphthyl)ethyl]carbamate CAS Name: N-[2-(2-naphthalenyl)ethyl]-N-[[[(2S)-4-nitro-3-oxo-1-phenylbutan-2-yl]amino]-oxomethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2-naphthalen-2-ylethyl)-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-[2-(2-naphthyl)ethyl]carbamic acid benzyl ester Formula: C31H29N3O6 MolecularWeight: 539.57846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C[N+](=O)[O-])NC(=O)N(CCC2=CC3=CC=CC=C3C=C2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)C[N+](=O)[O-])NC(=O)N(CCC2=CC3=CC=CC=C3C=C2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H29N3O6/c35-29(21-34(38)39)28(20-23-9-3-1-4-10-23)32-30(36)33(31(37)40-22-25-11-5-2-6-12-25)18-17-24-15-16-26-13-7-8-14-27(26)19-24/h1-16,19,28H,17-18,20-22H2,(H,32,36)/t28-/m0/s1