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

Systemtic Name: 3-(4-nitrophenyl)-2-[(phenylmethyl)amino]-6,7-dihydro-5H-1-benzofuran-4-one Openeye Name: 2-(benzylamino)-3-(4-nitrophenyl)-6,7-dihydro-5H-benzofuran-4-one CAS Name: 3-(4-nitrophenyl)-2-[(phenylmethyl)amino]-6,7-dihydro-5H-benzofuran-4-one IUPAC Name: 2-(benzylamino)-3-(4-nitrophenyl)-6,7-dihydro-5H-1-benzofuran-4-one Traditional Name: 2-(benzylamino)-3-(4-nitrophenyl)-6,7-dihydro-5H-benzofuran-4-one Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=C(O2)NCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=C(O2)NCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O4/c24-17-7-4-8-18-20(17)19(15-9-11-16(12-10-15)23(25)26)21(27-18)22-13-14-5-2-1-3-6-14/h1-3,5-6,9-12,22H,4,7-8,13H2