[(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-5-nitro-benzoate Openeye Name: [(1R)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [(1R)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O7/c1-10(17(22)20-11-4-7-15(26-2)16(8-11)27-3)28-18(23)13-9-12(21(24)25)5-6-14(13)19/h4-10H,19H2,1-3H3,(H,20,22)/t10-/m1/s1