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

Systemtic Name: 2-(3-methylbutyl)-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione Openeye Name: 2-isopentyl-5-(3-nitrobenzoyl)isoindoline-1,3-dione CAS Name: 2-(3-methylbutyl)-5-[(3-nitrophenyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(3-methylbutyl)-5-(3-nitrobenzoyl)isoindole-1,3-dione Traditional Name: 2-isoamyl-5-(3-nitrobenzoyl)isoindoline-1,3-quinone Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O5/c1-12(2)8-9-21-19(24)16-7-6-14(11-17(16)20(21)25)18(23)13-4-3-5-15(10-13)22(26)27/h3-7,10-12H,8-9H2,1-2H3