4-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-bromo-1H-pyrrole-2-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-bromo-1H-pyrrole-2-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-bromo-1H-pyrrole-2-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C14H11BrN2O4 MolecularWeight: 351.15214

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)C3=CC(=CN3)Br)C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2N1C(=O)C3=CC(=CN3)Br)C(=O)O

InChI

InChI=1S/C14H11BrN2O4/c15-8-5-9(16-6-8)13(18)17-7-12(14(19)20)21-11-4-2-1-3-10(11)17/h1-6,12,16H,7H2,(H,19,20)