[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 6-methyl-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carboxylate CAS Name: 6-methyl-1-(2-nitrophenyl)-4-oxo-3-pyridazinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxylate Traditional Name: 4-keto-6-methyl-1-(2-nitrophenyl)pyridazine-3-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H16N4O8 MolecularWeight: 452.37374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H16N4O8/c1-12-8-16(26)20(23-24(12)14-4-2-3-5-15(14)25(29)30)21(28)31-10-19(27)22-13-6-7-17-18(9-13)33-11-32-17/h2-9H,10-11H2,1H3,(H,22,27)