[1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C18H17N3O8 MolecularWeight: 403.34288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O8/c1-10-13(5-4-6-15(10)20(24)25)18(23)29-11(2)17(22)19-14-8-7-12(28-3)9-16(14)21(26)27/h4-9,11H,1-3H3,(H,19,22)