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

Systemtic Name: [1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-1-methyl-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O6/c1-10-8-12(4-6-15(10)21(24)25)18(23)27-11(2)17(22)20-13-5-7-16(26-3)14(19)9-13/h4-9,11H,1-3H3,(H,20,22)