[(2S)-1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [(2S)-1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate Openeye Name: [(1S)-2-(dibenzylamino)-1-methyl-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [(2S)-1-[bis(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [(1S)-2-(dibenzylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H23N3O5 MolecularWeight: 433.45652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C[C@@H](C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C24H23N3O5/c1-17(32-24(29)21-13-12-20(27(30)31)14-22(21)25)23(28)26(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14,17H,15-16,25H2,1H3/t17-/m0/s1