ethyl 6-butyl-7-nitro-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-butyl-7-nitro-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-butyl-7-nitro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-butyl-7-nitro-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-butyl-7-nitro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-butyl-4-keto-7-nitro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5/c1-3-5-6-10-7-11-13(8-14(10)18(21)22)17-9-12(15(11)19)16(20)23-4-2/h7-9H,3-6H2,1-2H3,(H,17,19)