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

Systemtic Name: 4-[[(2R)-2-ethyl-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2R)-2-ethyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2R)-2-ethyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[(2R)-2-ethyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2R)-2-ethyl-3-keto-6-nitro-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6/c1-2-15-17(21)19(10-11-3-5-12(6-4-11)18(22)23)14-9-13(20(24)25)7-8-16(14)26-15/h3-9,15H,2,10H2,1H3,(H,22,23)/t15-/m1/s1