ethyl 1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-[2-(3-nitrophenyl)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[2-(3-nitrophenyl)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-nitrophenyl)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[2-keto-2-(3-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC=CC=C2C1CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC2=CC=CC=C2C1CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5/c1-2-27-20(24)21-11-10-14-6-3-4-9-17(14)18(21)13-19(23)15-7-5-8-16(12-15)22(25)26/h3-9,12,18H,2,10-11,13H2,1H3