methyl 2-nitro-3-(1,2,3,4-tetrahydroisoquinolin-6-yliminomethyl)benzoate

Systemtic Name: methyl 2-nitro-3-(1,2,3,4-tetrahydroisoquinolin-6-yliminomethyl)benzoate Openeye Name: methyl 2-nitro-3-(1,2,3,4-tetrahydroisoquinolin-6-yliminomethyl)benzoate CAS Name: 2-nitro-3-(1,2,3,4-tetrahydroisoquinolin-6-yliminomethyl)benzoic acid methyl ester IUPAC Name: methyl 2-nitro-3-(1,2,3,4-tetrahydroisoquinolin-6-yliminomethyl)benzoate Traditional Name: 2-nitro-3-(1,2,3,4-tetrahydroisoquinolin-6-yliminomethyl)benzoic acid methyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1[N+](=O)[O-])C=NC2=CC3=C(CNCC3)C=C2

Isomeric SMILES

COC(=O)C1=CC=CC(=C1[N+](=O)[O-])C=NC2=CC3=C(CNCC3)C=C2

InChI

InChI=1S/C18H17N3O4/c1-25-18(22)16-4-2-3-14(17(16)21(23)24)11-20-15-6-5-13-10-19-8-7-12(13)9-15/h2-6,9,11,19H,7-8,10H2,1H3