[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17ClN2O8 MolecularWeight: 424.78918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O8/c1-26-14-6-10(7-15(27-2)17(14)28-3)18(23)29-9-16(22)20-12-5-4-11(19)8-13(12)21(24)25/h4-8H,9H2,1-3H3,(H,20,22)