butyl 3-carboxyoxy-7-nitro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

Systemtic Name: butyl 3-carboxyoxy-7-nitro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate Openeye Name: butyl 3-carboxyoxy-7-nitro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate CAS Name: 3-carboxyoxy-7-nitro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid butyl ester IUPAC Name: butyl 3-carboxyoxy-7-nitro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate Traditional Name: 3-carboxyoxy-7-nitro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid butyl ester Formula: C15H18N2O7 MolecularWeight: 338.31262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C2=C(CC(N1)OC(=O)O)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1C2=C(CC(N1)OC(=O)O)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O7/c1-2-3-6-23-14(18)13-11-8-10(17(21)22)5-4-9(11)7-12(16-13)24-15(19)20/h4-5,8,12-13,16H,2-3,6-7H2,1H3,(H,19,20)