4-(1-methylpyrazol-4-yl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(1-methylpyrazol-4-yl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(1-methylpyrazole-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-[(1-methyl-4-pyrazolyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(1-methylpyrazole-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(1-methylpyrazole-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)N2CC(OC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)C(=O)N2CC(OC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C14H13N3O4/c1-16-7-9(6-15-16)13(18)17-8-12(14(19)20)21-11-5-3-2-4-10(11)17/h2-7,12H,8H2,1H3,(H,19,20)