[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-oxidanylidene-2,4-dihydro-1H-pyridazine-6-carboxylate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-oxidanylidene-2,4-dihydro-1H-pyridazine-6-carboxylate Openeye Name: [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate CAS Name: 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylic acid [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate Traditional Name: 3-keto-2,4-dihydro-1H-pyridazine-6-carboxylic acid [2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC(=O)C4=CCC(=O)NN4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC(=O)C4=CCC(=O)NN4

InChI

InChI=1S/C20H19N3O6/c1-11-7-14(16(24)9-27-20(26)15-4-6-19(25)22-21-15)12(2)23(11)13-3-5-17-18(8-13)29-10-28-17/h3-5,7-8,21H,6,9-10H2,1-2H3,(H,22,25)