4-(1,3-dihydroisoindol-2-yl)-1-(4-nitrophenyl)butan-1-one

Systemtic Name: 4-(1,3-dihydroisoindol-2-yl)-1-(4-nitrophenyl)butan-1-one Openeye Name: 4-isoindolin-2-yl-1-(4-nitrophenyl)butan-1-one CAS Name: 4-(1,3-dihydroisoindol-2-yl)-1-(4-nitrophenyl)-1-butanone IUPAC Name: 4-(1,3-dihydroisoindol-2-yl)-1-(4-nitrophenyl)butan-1-one Traditional Name: 4-isoindolin-2-yl-1-(4-nitrophenyl)butan-1-one Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CN1CCCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2CN1CCCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O3/c21-18(14-7-9-17(10-8-14)20(22)23)6-3-11-19-12-15-4-1-2-5-16(15)13-19/h1-2,4-5,7-10H,3,6,11-13H2