N-(chloromethyl)carbamate; 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: N-(chloromethyl)carbamate; 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: N-(chloromethyl)carbamate; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: N-(chloromethyl)carbamate; 1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: N-(chloromethyl)carbamate; 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: N-(chloromethyl)carbamate; 1-ethyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C18H21ClFN4O5- MolecularWeight: 427.834543

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.C(NC(=O)[O-])Cl

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.C(NC(=O)[O-])Cl

InChI

InChI=1S/C16H18FN3O3.C2H4ClNO2/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20;3-1-4-2(5)6/h7-9,18H,2-6H2,1H3,(H,22,23);4H,1H2,(H,5,6)/p-1