methyl N-[(1S)-1-(3-methylphenyl)-2-nitro-ethyl]carbamate

Systemtic Name: methyl N-[(1S)-1-(3-methylphenyl)-2-nitro-ethyl]carbamate Openeye Name: methyl N-[(1S)-1-(m-tolyl)-2-nitro-ethyl]carbamate CAS Name: N-[(1S)-1-(3-methylphenyl)-2-nitroethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(1S)-1-(3-methylphenyl)-2-nitroethyl]carbamate Traditional Name: N-[(1S)-1-(m-tolyl)-2-nitro-ethyl]carbamic acid methyl ester Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C[N+](=O)[O-])NC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)[C@@H](C[N+](=O)[O-])NC(=O)OC

InChI

InChI=1S/C11H14N2O4/c1-8-4-3-5-9(6-8)10(7-13(15)16)12-11(14)17-2/h3-6,10H,7H2,1-2H3,(H,12,14)/t10-/m1/s1