3-[3-[(3,4-dimethylphenyl)carbamoyl]-6-oxidanylidene-pyridazin-1-yl]propanoic acid

Systemtic Name: 3-[3-[(3,4-dimethylphenyl)carbamoyl]-6-oxidanylidene-pyridazin-1-yl]propanoic acid Openeye Name: 3-[3-[(3,4-dimethylphenyl)carbamoyl]-6-oxo-pyridazin-1-yl]propanoic acid CAS Name: 3-[3-[(3,4-dimethylanilino)-oxomethyl]-6-oxo-1-pyridazinyl]propanoic acid IUPAC Name: 3-[3-[(3,4-dimethylphenyl)carbamoyl]-6-oxopyridazin-1-yl]propanoic acid Traditional Name: 3-[3-[(3,4-dimethylphenyl)carbamoyl]-6-keto-pyridazin-1-yl]propionic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CCC(=O)O)C

InChI

InChI=1S/C16H17N3O4/c1-10-3-4-12(9-11(10)2)17-16(23)13-5-6-14(20)19(18-13)8-7-15(21)22/h3-6,9H,7-8H2,1-2H3,(H,17,23)(H,21,22)