2-[(4-methyl-7-nitro-3-oxidanylidene-1,4-benzoxazin-6-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-methyl-7-nitro-3-oxidanylidene-1,4-benzoxazin-6-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-methyl-7-nitro-3-oxo-1,4-benzoxazin-6-yl)sulfanyl]acetic acid CAS Name: 2-[(4-methyl-7-nitro-3-oxo-1,4-benzoxazin-6-yl)thio]acetic acid IUPAC Name: 2-[(4-methyl-7-nitro-3-oxo-1,4-benzoxazin-6-yl)sulfanyl]acetic acid Traditional Name: 2-[(3-keto-4-methyl-7-nitro-1,4-benzoxazin-6-yl)thio]acetic acid Formula: C11H10N2O6S MolecularWeight: 298.2719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=CC(=C(C=C21)SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)COC2=CC(=C(C=C21)SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O6S/c1-12-6-3-9(20-5-11(15)16)7(13(17)18)2-8(6)19-4-10(12)14/h2-3H,4-5H2,1H3,(H,15,16)