5,5-dimethyl-2-[1-[(3-nitrophenyl)amino]butylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[1-[(3-nitrophenyl)amino]butylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[1-(3-nitroanilino)butylidene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[1-(3-nitroanilino)butylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[1-(3-nitroanilino)butylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[1-(3-nitroanilino)butylidene]cyclohexane-1,3-quinone Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)(C)C)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)(C)C)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O4/c1-4-6-14(17-15(21)10-18(2,3)11-16(17)22)19-12-7-5-8-13(9-12)20(23)24/h5,7-9,19H,4,6,10-11H2,1-3H3