5-(2,3-dimethyl-4-nitro-naphthalen-1-yl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(2,3-dimethyl-4-nitro-naphthalen-1-yl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione Openeye Name: 5-(2,3-dimethyl-4-nitro-1-naphthyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione CAS Name: 5-(2,3-dimethyl-4-nitro-1-naphthalenyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione IUPAC Name: 5-(2,3-dimethyl-4-nitronaphthalen-1-yl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione Traditional Name: 5-(2,3-dimethyl-4-nitro-1-naphthyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-quinone Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C3=CC=CC=C32)[N+](=O)[O-])C)C)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=C(C(=C(C3=CC=CC=C32)[N+](=O)[O-])C)C)O

InChI

InChI=1S/C22H23NO5/c1-4-7-17(24)21-18(25)10-14(11-19(21)26)20-12(2)13(3)22(23(27)28)16-9-6-5-8-15(16)20/h5-6,8-9,14,24H,4,7,10-11H2,1-3H3