methyl 4-[[[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[(1R)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl]amino]methyl]benzoate CAS Name: 4-[[[(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl]amino]methyl]benzoate Traditional Name: 4-[[[(1R)-2-keto-1-methyl-2-(3-nitroanilino)ethyl]amino]methyl]benzoic acid methyl ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H19N3O5/c1-12(17(22)20-15-4-3-5-16(10-15)21(24)25)19-11-13-6-8-14(9-7-13)18(23)26-2/h3-10,12,19H,11H2,1-2H3,(H,20,22)/t12-/m1/s1