2-cyclohexyl-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-cyclohexyl-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione Openeye Name: 2-cyclohexyl-5-(3-nitrobenzoyl)isoindoline-1,3-dione CAS Name: 2-cyclohexyl-5-[(3-nitrophenyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-cyclohexyl-5-(3-nitrobenzoyl)isoindole-1,3-dione Traditional Name: 2-cyclohexyl-5-(3-nitrobenzoyl)isoindoline-1,3-quinone Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5/c24-19(13-5-4-8-16(11-13)23(27)28)14-9-10-17-18(12-14)21(26)22(20(17)25)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2