methyl 3-(isoquinolin-1-ylmethylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(isoquinolin-1-ylmethylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(1-isoquinolylmethylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(1-isoquinolinylmethylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(isoquinolin-1-ylmethylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(1-isoquinolylmethylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C19H15N3O5 MolecularWeight: 365.3395

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=NC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=NC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5/c1-27-19(24)14-8-13(9-15(10-14)22(25)26)18(23)21-11-17-16-5-3-2-4-12(16)6-7-20-17/h2-10H,11H2,1H3,(H,21,23)