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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC)OC

InChI

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