4-methylphthalic acid; phthalazine

Systemtic Name: 4-methylphthalic acid; phthalazine Openeye Name: 4-methylphthalic acid; phthalazine CAS Name: 4-methylphthalic acid; phthalazine IUPAC Name: 4-methylphthalic acid; phthalazine Traditional Name: 4-methylphthalic acid; phthalazine Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)C(=O)O.C1=CC=C2C=NN=CC2=C1

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)C(=O)O.C1=CC=C2C=NN=CC2=C1

InChI

InChI=1S/C9H8O4.C8H6N2/c1-5-2-3-6(8(10)11)7(4-5)9(12)13;1-2-4-8-6-10-9-5-7(8)3-1/h2-4H,1H3,(H,10,11)(H,12,13);1-6H