[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(2-furoylamino)-4,5-dimethoxy-benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C22H19N3O9 MolecularWeight: 469.40096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3)OC

InChI

InChI=1S/C22H19N3O9/c1-31-18-10-15(16(11-19(18)32-2)24-21(27)17-4-3-9-33-17)22(28)34-12-20(26)23-13-5-7-14(8-6-13)25(29)30/h3-11H,12H2,1-2H3,(H,23,26)(H,24,27)