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

Systemtic Name: (phenylmethyl) N-[(2S)-3-methyl-1-[(3-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-methyl-1-[(3-nitrophenyl)carbamoyl]propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-(3-nitroanilino)-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-methyl-1-(3-nitroanilino)-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-2-methyl-1-[(3-nitrophenyl)carbamoyl]propyl]carbamic acid benzyl ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5/c1-13(2)17(21-19(24)27-12-14-7-4-3-5-8-14)18(23)20-15-9-6-10-16(11-15)22(25)26/h3-11,13,17H,12H2,1-2H3,(H,20,23)(H,21,24)/t17-/m0/s1