1-ethyl-6-nitro-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-nitro-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-nitro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-nitro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-nitro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-6-nitro-7-piperazino-quinoline-3-carboxylic acid Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H18N4O5/c1-2-18-9-11(16(22)23)15(21)10-7-14(20(24)25)13(8-12(10)18)19-5-3-17-4-6-19/h7-9,17H,2-6H2,1H3,(H,22,23)