2-[2-(5-nitro-2-oxidanyl-phenyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoic acid

Systemtic Name: 2-[2-(5-nitro-2-oxidanyl-phenyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoic acid Openeye Name: 2-[2-(2-hydroxy-5-nitro-phenyl)-3-oxo-1,4-benzothiazin-4-yl]acetic acid CAS Name: 2-[2-(2-hydroxy-5-nitrophenyl)-3-oxo-1,4-benzothiazin-4-yl]acetic acid IUPAC Name: 2-[2-(2-hydroxy-5-nitrophenyl)-3-oxo-1,4-benzothiazin-4-yl]acetic acid Traditional Name: 2-[2-(2-hydroxy-5-nitro-phenyl)-3-keto-1,4-benzothiazin-4-yl]acetic acid Formula: C16H12N2O6S MolecularWeight: 360.34128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(S2)C3=C(C=CC(=C3)[N+](=O)[O-])O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(S2)C3=C(C=CC(=C3)[N+](=O)[O-])O)CC(=O)O

InChI

InChI=1S/C16H12N2O6S/c19-12-6-5-9(18(23)24)7-10(12)15-16(22)17(8-14(20)21)11-3-1-2-4-13(11)25-15/h1-7,15,19H,8H2,(H,20,21)