3-[1-[(2-methylphenyl)methyl]-6-oxidanylidene-pyridazin-3-yl]propanoate

Systemtic Name: 3-[1-[(2-methylphenyl)methyl]-6-oxidanylidene-pyridazin-3-yl]propanoate Openeye Name: 3-[1-(o-tolylmethyl)-6-oxo-pyridazin-3-yl]propanoate CAS Name: 3-[1-[(2-methylphenyl)methyl]-6-oxo-3-pyridazinyl]propanoate IUPAC Name: 3-[1-[(2-methylphenyl)methyl]-6-oxopyridazin-3-yl]propanoate Traditional Name: 3-[6-keto-1-(2-methylbenzyl)pyridazin-3-yl]propionate Formula: C15H15N2O3- MolecularWeight: 271.2912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)C=CC(=N2)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)C=CC(=N2)CCC(=O)[O-]

InChI

InChI=1S/C15H16N2O3/c1-11-4-2-3-5-12(11)10-17-14(18)8-6-13(16-17)7-9-15(19)20/h2-6,8H,7,9-10H2,1H3,(H,19,20)/p-1