4-[(8-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methylimino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(8-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methylimino]cyclohexane-1-carboxylic acid Openeye Name: 4-[(8-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)methylimino]cyclohexanecarboxylic acid CAS Name: 4-[(8-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)methylimino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(8-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)methylimino]cyclohexane-1-carboxylic acid Traditional Name: 4-[(3-keto-8-nitro-4H-1,4-benzoxazin-6-yl)methylimino]cyclohexanecarboxylic acid Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NCC2=CC3=C(C(=C2)[N+](=O)[O-])OCC(=O)N3)CCC1C(=O)O

Isomeric SMILES

C1CC(=NCC2=CC3=C(C(=C2)[N+](=O)[O-])OCC(=O)N3)CCC1C(=O)O

InChI

InChI=1S/C16H17N3O6/c20-14-8-25-15-12(18-14)5-9(6-13(15)19(23)24)7-17-11-3-1-10(2-4-11)16(21)22/h5-6,10H,1-4,7-8H2,(H,18,20)(H,21,22)