ethyl 7-nitro-1-(phenylmethyl)isoquinoline-3-carboxylate

Systemtic Name: ethyl 7-nitro-1-(phenylmethyl)isoquinoline-3-carboxylate Openeye Name: ethyl 1-benzyl-7-nitro-isoquinoline-3-carboxylate CAS Name: 7-nitro-1-(phenylmethyl)-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-7-nitroisoquinoline-3-carboxylate Traditional Name: 1-benzyl-7-nitro-isoquinoline-3-carboxylic acid ethyl ester Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=C2C=C(C=CC2=C1)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NC(=C2C=C(C=CC2=C1)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H16N2O4/c1-2-25-19(22)18-11-14-8-9-15(21(23)24)12-16(14)17(20-18)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3