5-nitro-2-[(2S)-4-oxidanylidene-1,2-dihydro-3,1-benzoxazin-2-yl]benzoic acid

Systemtic Name: 5-nitro-2-[(2S)-4-oxidanylidene-1,2-dihydro-3,1-benzoxazin-2-yl]benzoic acid Openeye Name: 5-nitro-2-[(2S)-4-oxo-1,2-dihydro-3,1-benzoxazin-2-yl]benzoic acid CAS Name: 5-nitro-2-[(2S)-4-oxo-1,2-dihydro-3,1-benzoxazin-2-yl]benzoic acid IUPAC Name: 5-nitro-2-[(2S)-4-oxo-1,2-dihydro-3,1-benzoxazin-2-yl]benzoic acid Traditional Name: 2-[(2S)-4-keto-1,2-dihydro-3,1-benzoxazin-2-yl]-5-nitro-benzoic acid Formula: C15H10N2O6 MolecularWeight: 314.2497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(N2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)O[C@H](N2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H10N2O6/c18-14(19)11-7-8(17(21)22)5-6-9(11)13-16-12-4-2-1-3-10(12)15(20)23-13/h1-7,13,16H,(H,18,19)/t13-/m0/s1