ethyl 2-[[(6R)-3,3-dimethyl-6-nitro-5-oxidanylidene-cyclohexen-1-yl]amino]benzoate

Systemtic Name: ethyl 2-[[(6R)-3,3-dimethyl-6-nitro-5-oxidanylidene-cyclohexen-1-yl]amino]benzoate Openeye Name: ethyl 2-[[(6R)-3,3-dimethyl-6-nitro-5-oxo-cyclohexen-1-yl]amino]benzoate CAS Name: 2-[[(6R)-3,3-dimethyl-6-nitro-5-oxo-1-cyclohexenyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(6R)-3,3-dimethyl-6-nitro-5-oxocyclohexen-1-yl]amino]benzoate Traditional Name: 2-[[(6R)-5-keto-3,3-dimethyl-6-nitro-cyclohexen-1-yl]amino]benzoic acid ethyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=CC(CC(=O)C2[N+](=O)[O-])(C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=CC(CC(=O)[C@@H]2[N+](=O)[O-])(C)C

InChI

InChI=1S/C17H20N2O5/c1-4-24-16(21)11-7-5-6-8-12(11)18-13-9-17(2,3)10-14(20)15(13)19(22)23/h5-9,15,18H,4,10H2,1-3H3/t15-/m1/s1