[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,6-dimethoxybenzoate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,6-dimethoxybenzoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17ClN2O7 MolecularWeight: 408.78978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C18H17ClN2O7/c1-10(17(22)20-13-8-7-11(21(24)25)9-12(13)19)28-18(23)16-14(26-2)5-4-6-15(16)27-3/h4-10H,1-3H3,(H,20,22)