[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate CAS Name: 6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxylic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate Traditional Name: 6-keto-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C23H22N4O8 MolecularWeight: 482.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H22N4O8/c1-15(22(29)24-19-14-16(27(31)32)8-10-20(19)33-2)35-23(30)18-9-11-21(28)26(25-18)12-13-34-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,24,29)