4-[(5,5-dimethyl-2-nitro-3-oxidanylidene-cyclohexen-1-yl)amino]butanoic acid

Systemtic Name: 4-[(5,5-dimethyl-2-nitro-3-oxidanylidene-cyclohexen-1-yl)amino]butanoic acid Openeye Name: 4-[(5,5-dimethyl-2-nitro-3-oxo-cyclohexen-1-yl)amino]butanoic acid CAS Name: 4-[(5,5-dimethyl-2-nitro-3-oxo-1-cyclohexenyl)amino]butanoic acid IUPAC Name: 4-[(5,5-dimethyl-2-nitro-3-oxocyclohexen-1-yl)amino]butanoic acid Traditional Name: 4-[(3-keto-5,5-dimethyl-2-nitro-cyclohexen-1-yl)amino]butyric acid Formula: C12H18N2O5 MolecularWeight: 270.28172

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)[N+](=O)[O-])NCCCC(=O)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)[N+](=O)[O-])NCCCC(=O)O)C

InChI

InChI=1S/C12H18N2O5/c1-12(2)6-8(13-5-3-4-10(16)17)11(14(18)19)9(15)7-12/h13H,3-7H2,1-2H3,(H,16,17)