ethyl 3-azanyl-7-nitro-1-oxidanylidene-2H-isoquinoline-4-carboxylate

Systemtic Name: ethyl 3-azanyl-7-nitro-1-oxidanylidene-2H-isoquinoline-4-carboxylate Openeye Name: ethyl 3-amino-7-nitro-1-oxo-2H-isoquinoline-4-carboxylate CAS Name: 3-amino-7-nitro-1-oxo-2H-isoquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-7-nitro-1-oxo-2H-isoquinoline-4-carboxylate Traditional Name: 3-amino-1-keto-7-nitro-2H-isoquinoline-4-carboxylic acid ethyl ester Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)C2=C1C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)C2=C1C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C12H11N3O5/c1-2-20-12(17)9-7-4-3-6(15(18)19)5-8(7)11(16)14-10(9)13/h3-5H,2H2,1H3,(H3,13,14,16)