[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-methyl-3-nitro-benzoate Openeye Name: [(1R)-1-(benzylcarbamoyl)propyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxobutan-2-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [(1R)-1-(benzylcarbamoyl)propyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N2O5/c1-3-17(18(22)20-12-14-8-5-4-6-9-14)26-19(23)15-10-7-11-16(13(15)2)21(24)25/h4-11,17H,3,12H2,1-2H3,(H,20,22)/t17-/m1/s1