(phenylmethyl) 5-[(2-nitrophenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate

Systemtic Name: (phenylmethyl) 5-[(2-nitrophenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate Openeye Name: benzyl 5-[(2-nitrophenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate CAS Name: 5-[(2-nitrophenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(2-nitrophenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxylate Traditional Name: 5-(2-nitrobenzyl)-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinoline-6-carboxylic acid benzyl ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC3=C(C=C21)OCO3)CC4=CC=CC=C4[N+](=O)[O-])C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(C(C2=CC3=C(C=C21)OCO3)CC4=CC=CC=C4[N+](=O)[O-])C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H22N2O6/c28-25(31-15-17-6-2-1-3-7-17)26-11-10-18-13-23-24(33-16-32-23)14-20(18)22(26)12-19-8-4-5-9-21(19)27(29)30/h1-9,13-14,22H,10-12,15-16H2