methyl 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanoate

Systemtic Name: methyl 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanoate Openeye Name: methyl 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate CAS Name: 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid methyl ester IUPAC Name: methyl 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate Traditional Name: 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid methyl ester Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C2=C(CCN1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1C2=C(CCN1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4/c1-18-12(15)7-11-10-6-9(14(16)17)3-2-8(10)4-5-13-11/h2-3,6,11,13H,4-5,7H2,1H3