methyl 4-[2-[3-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyridazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[3-(1,3-benzodioxol-5-yl)-6-oxidanylidene-pyridazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(1,3-benzodioxol-5-yl)-6-oxo-pyridazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(1,3-benzodioxol-5-yl)-6-oxo-1-pyridazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(1,3-benzodioxol-5-yl)-6-keto-pyridazin-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17N3O6/c1-28-21(27)13-2-5-15(6-3-13)22-19(25)11-24-20(26)9-7-16(23-24)14-4-8-17-18(10-14)30-12-29-17/h2-10H,11-12H2,1H3,(H,22,25)