5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]cyclohex-2-en-1-one Openeye Name: 3-(benzylamino)-5,5-dimethyl-2-nitro-cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]-1-cyclohex-2-enone IUPAC Name: 3-(benzylamino)-5,5-dimethyl-2-nitrocyclohex-2-en-1-one Traditional Name: 3-(benzylamino)-5,5-dimethyl-2-nitro-cyclohex-2-en-1-one Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)[N+](=O)[O-])NCC2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)[N+](=O)[O-])NCC2=CC=CC=C2)C

InChI

InChI=1S/C15H18N2O3/c1-15(2)8-12(14(17(19)20)13(18)9-15)16-10-11-6-4-3-5-7-11/h3-7,16H,8-10H2,1-2H3