methyl 3-[3-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]propanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[3-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]propanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[3-(3,6-dioxo-1H-pyridazin-2-yl)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[3-(3,6-dioxo-1H-pyridazin-2-yl)-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(3,6-dioxo-1H-pyridazin-2-yl)propanoylamino]-4-methylbenzoate Traditional Name: 3-[3-(3,6-diketo-1H-pyridazin-2-yl)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C(=O)C=CC(=O)N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C(=O)C=CC(=O)N2

InChI

InChI=1S/C16H17N3O5/c1-10-3-4-11(16(23)24-2)9-12(10)17-13(20)7-8-19-15(22)6-5-14(21)18-19/h3-6,9H,7-8H2,1-2H3,(H,17,20)(H,18,21)