[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethoxybenzoate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethoxybenzoate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2,5-dimethoxybenzoate CAS Name: 2,5-dimethoxybenzoic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate Traditional Name: 2,5-dimethoxybenzoic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7/c1-11(17(21)19-14-6-4-5-7-15(14)20(23)24)27-18(22)13-10-12(25-2)8-9-16(13)26-3/h4-11H,1-3H3,(H,19,21)/t11-/m0/s1