ethyl 2-(3,5-dinitrophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-(3,5-dinitrophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl 2-(3,5-dinitrobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[(3,5-dinitrophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dinitrobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(3,5-dinitrobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O7/c1-2-29-19(24)17-9-12-5-3-4-6-13(12)11-20(17)18(23)14-7-15(21(25)26)10-16(8-14)22(27)28/h3-8,10,17H,2,9,11H2,1H3