4-[(5,5-dimethyl-2-nitro-3-oxidanylidene-cyclohexylidene)amino]butanoate

Systemtic Name: 4-[(5,5-dimethyl-2-nitro-3-oxidanylidene-cyclohexylidene)amino]butanoate Openeye Name: 4-[(5,5-dimethyl-2-nitro-3-oxo-cyclohexylidene)amino]butanoate CAS Name: 4-[(5,5-dimethyl-2-nitro-3-oxocyclohexylidene)amino]butanoate IUPAC Name: 4-[(5,5-dimethyl-2-nitro-3-oxocyclohexylidene)amino]butanoate Traditional Name: 4-[(3-keto-5,5-dimethyl-2-nitro-cyclohexylidene)amino]butyrate Formula: C12H17N2O5- MolecularWeight: 269.27378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(=NCCCC(=O)[O-])C(C(=O)C1)[N+](=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/h11H,3-7H2,1-2H3,(H,16,17)/p-1