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

Systemtic Name: methyl 4-[2-[6-oxidanylidene-3-(phenylcarbamoyl)pyridazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-oxo-3-(phenylcarbamoyl)pyridazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-[anilino(oxo)methyl]-6-oxo-1-pyridazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-oxo-3-(phenylcarbamoyl)pyridazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[6-keto-3-(phenylcarbamoyl)pyridazin-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H18N4O5/c1-30-21(29)14-7-9-16(10-8-14)22-18(26)13-25-19(27)12-11-17(24-25)20(28)23-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,26)(H,23,28)