[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C22H26N2O8 MolecularWeight: 446.45044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O8/c1-5-29-18-10-15(11-19(30-6-2)21(18)31-7-3)22(26)32-13-20(25)23-16-9-8-14(4)17(12-16)24(27)28/h8-12H,5-7,13H2,1-4H3,(H,23,25)