6,6-dimethyl-3-(4-nitrophenyl)-2-[(phenylmethyl)amino]-5,7-dihydro-1-benzofuran-4-one

Systemtic Name: 6,6-dimethyl-3-(4-nitrophenyl)-2-[(phenylmethyl)amino]-5,7-dihydro-1-benzofuran-4-one Openeye Name: 2-(benzylamino)-6,6-dimethyl-3-(4-nitrophenyl)-5,7-dihydrobenzofuran-4-one CAS Name: 6,6-dimethyl-3-(4-nitrophenyl)-2-[(phenylmethyl)amino]-5,7-dihydrobenzofuran-4-one IUPAC Name: 2-(benzylamino)-6,6-dimethyl-3-(4-nitrophenyl)-5,7-dihydro-1-benzofuran-4-one Traditional Name: 2-(benzylamino)-6,6-dimethyl-3-(4-nitrophenyl)-5,7-dihydrobenzofuran-4-one Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=C(O2)NCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=C(O2)NCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H22N2O4/c1-23(2)12-18(26)21-19(13-23)29-22(24-14-15-6-4-3-5-7-15)20(21)16-8-10-17(11-9-16)25(27)28/h3-11,24H,12-14H2,1-2H3