ethyl 1-(4-nitrophenyl)-1,2,6,7,8,8a-hexahydroisoquinoline-4-carboxylate

Systemtic Name: ethyl 1-(4-nitrophenyl)-1,2,6,7,8,8a-hexahydroisoquinoline-4-carboxylate Openeye Name: ethyl 1-(4-nitrophenyl)-1,2,6,7,8,8a-hexahydroisoquinoline-4-carboxylate CAS Name: 1-(4-nitrophenyl)-1,2,6,7,8,8a-hexahydroisoquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-nitrophenyl)-1,2,6,7,8,8a-hexahydroisoquinoline-4-carboxylate Traditional Name: 1-(4-nitrophenyl)-1,2,6,7,8,8a-hexahydroisoquinoline-4-carboxylic acid ethyl ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(C2C1=CCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CNC(C2C1=CCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4/c1-2-24-18(21)16-11-19-17(15-6-4-3-5-14(15)16)12-7-9-13(10-8-12)20(22)23/h5,7-11,15,17,19H,2-4,6H2,1H3