3-[[(2R)-2-methyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid

Systemtic Name: 3-[[(2R)-2-methyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 3-[[(2R)-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 3-[[(2R)-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 3-[[(2R)-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 3-[[(2R)-3-keto-2-methyl-6-nitro-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14N2O6/c1-10-16(20)18(9-11-3-2-4-12(7-11)17(21)22)14-8-13(19(23)24)5-6-15(14)25-10/h2-8,10H,9H2,1H3,(H,21,22)/t10-/m1/s1