methyl 2-[6,7-dimethoxy-2-[(3-nitrophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[6,7-dimethoxy-2-[(3-nitrophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[6,7-dimethoxy-2-[(3-nitrophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[6,7-dimethoxy-2-[(3-nitroanilino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6,7-dimethoxy-2-[(3-nitrophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[6,7-dimethoxy-2-[(3-nitrophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])CC(=O)OC)OC

InChI

InChI=1S/C21H23N3O7/c1-29-18-9-13-7-8-23(17(12-20(25)31-3)16(13)11-19(18)30-2)21(26)22-14-5-4-6-15(10-14)24(27)28/h4-6,9-11,17H,7-8,12H2,1-3H3,(H,22,26)