[(2R)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dimethoxybenzoate

Systemtic Name: [(2R)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dimethoxybenzoate Openeye Name: [(1R)-1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(1R)-2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7/c1-11(17(21)19-13-5-7-14(8-6-13)20(23)24)27-18(22)12-4-9-15(25-2)16(10-12)26-3/h4-11H,1-3H3,(H,19,21)/t11-/m1/s1