ethyl 3-azanyl-7-nitro-isoquinoline-4-carboxylate

Systemtic Name: ethyl 3-azanyl-7-nitro-isoquinoline-4-carboxylate Openeye Name: ethyl 3-amino-7-nitro-isoquinoline-4-carboxylate CAS Name: 3-amino-7-nitro-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-7-nitroisoquinoline-4-carboxylate Traditional Name: 3-amino-7-nitro-isoquinoline-4-carboxylic acid ethyl ester Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CC2=CN=C1N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CC2=CN=C1N)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-2-19-12(16)10-9-4-3-8(15(17)18)5-7(9)6-14-11(10)13/h3-6H,2H2,1H3,(H2,13,14)