(phenylmethyl) N-[(2S,3S)-3-methyl-1-[(3-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3S)-3-methyl-1-[(3-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-2-methyl-1-[(3-nitrophenyl)carbamoyl]butyl]carbamate CAS Name: N-[(2S,3S)-3-methyl-1-(3-nitroanilino)-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-3-methyl-1-(3-nitroanilino)-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-2-methyl-1-[(3-nitrophenyl)carbamoyl]butyl]carbamic acid benzyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O5/c1-3-14(2)18(22-20(25)28-13-15-8-5-4-6-9-15)19(24)21-16-10-7-11-17(12-16)23(26)27/h4-12,14,18H,3,13H2,1-2H3,(H,21,24)(H,22,25)/t14-,18-/m0/s1