methyl 4-chloranyl-3-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]benzoate Openeye Name: methyl 3-[(1-benzyl-6-oxo-pyridazine-3-carbonyl)amino]-4-chloro-benzoate CAS Name: 4-chloro-3-[[oxo-[6-oxo-1-(phenylmethyl)-3-pyridazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-4-chlorobenzoate Traditional Name: 3-[(1-benzyl-6-keto-pyridazine-3-carbonyl)amino]-4-chloro-benzoic acid methyl ester Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H16ClN3O4/c1-28-20(27)14-7-8-15(21)17(11-14)22-19(26)16-9-10-18(25)24(23-16)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,26)