ethyl 7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: ethyl 7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: ethyl 7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: 7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: 7-nitro-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid ethyl ester Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(CN1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CC2=C(CN1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4/c1-2-18-12(15)11-6-8-3-4-10(14(16)17)5-9(8)7-13-11/h3-5,11,13H,2,6-7H2,1H3