3-(3-ethoxy-4-nitro-phenyl)-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(3-ethoxy-4-nitro-phenyl)-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-allyl-3-(3-ethoxy-4-nitro-phenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one CAS Name: 3-(3-ethoxy-4-nitrophenyl)-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-(3-ethoxy-4-nitrophenyl)-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-allyl-3-(3-ethoxy-4-nitro-phenyl)-6,7-dimethoxy-3,4-dihydroisocarbostyril Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2CC3=CC(=C(C=C3C(=O)N2CC=C)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2CC3=CC(=C(C=C3C(=O)N2CC=C)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6/c1-5-9-23-18(14-7-8-17(24(26)27)19(11-14)30-6-2)10-15-12-20(28-3)21(29-4)13-16(15)22(23)25/h5,7-8,11-13,18H,1,6,9-10H2,2-4H3