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

Systemtic Name: ethyl 2-[(5,5-dimethyl-2-nitro-3-oxidanylidene-cyclohexen-1-yl)amino]benzoate Openeye Name: ethyl 2-[(5,5-dimethyl-2-nitro-3-oxo-cyclohexen-1-yl)amino]benzoate CAS Name: 2-[(5,5-dimethyl-2-nitro-3-oxo-1-cyclohexenyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(5,5-dimethyl-2-nitro-3-oxocyclohexen-1-yl)amino]benzoate Traditional Name: 2-[(3-keto-5,5-dimethyl-2-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=C(C(=O)CC(C2)(C)C)[N+](=O)[O-]

Isomeric SMILES

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

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/h5-8,18H,4,9-10H2,1-3H3