2-(2,5-dimethylphenyl)-4-(2-nitroethyl)cyclopentane-1,3-dione

Systemtic Name: 2-(2,5-dimethylphenyl)-4-(2-nitroethyl)cyclopentane-1,3-dione Openeye Name: 2-(2,5-dimethylphenyl)-4-(2-nitroethyl)cyclopentane-1,3-dione CAS Name: 2-(2,5-dimethylphenyl)-4-(2-nitroethyl)cyclopentane-1,3-dione IUPAC Name: 2-(2,5-dimethylphenyl)-4-(2-nitroethyl)cyclopentane-1,3-dione Traditional Name: 2-(2,5-dimethylphenyl)-4-(2-nitroethyl)cyclopentane-1,3-quinone Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(=O)CC(C2=O)CC[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2C(=O)CC(C2=O)CC[N+](=O)[O-]

InChI

InChI=1S/C15H17NO4/c1-9-3-4-10(2)12(7-9)14-13(17)8-11(15(14)18)5-6-16(19)20/h3-4,7,11,14H,5-6,8H2,1-2H3