2-(2,6-diethylphenyl)-4-nitro-3H-isoindol-1-one

Systemtic Name: 2-(2,6-diethylphenyl)-4-nitro-3H-isoindol-1-one Openeye Name: 2-(2,6-diethylphenyl)-4-nitro-isoindolin-1-one CAS Name: 2-(2,6-diethylphenyl)-4-nitro-3H-isoindol-1-one IUPAC Name: 2-(2,6-diethylphenyl)-4-nitro-3H-isoindol-1-one Traditional Name: 2-(2,6-diethylphenyl)-4-nitro-isoindolin-1-one Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2CC3=C(C2=O)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2CC3=C(C2=O)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O3/c1-3-12-7-5-8-13(4-2)17(12)19-11-15-14(18(19)21)9-6-10-16(15)20(22)23/h5-10H,3-4,11H2,1-2H3