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1-cyclohexyl-7-(cyclohexylamino)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

1-cyclohexyl-7-(cyclohexylamino)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name:1-cyclohexyl-7-(cyclohexylamino)-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid
Openeye Name:1-cyclohexyl-7-(cyclohexylamino)-6-nitro-4-oxo-quinoline-3-carboxylic acid
CAS Name:1-cyclohexyl-7-(cyclohexylamino)-6-nitro-4-oxo-3-quinolinecarboxylic acid
IUPAC Name:1-cyclohexyl-7-(cyclohexylamino)-6-nitro-4-oxoquinoline-3-carboxylic acid
Traditional Name:1-cyclohexyl-7-(cyclohexylamino)-4-keto-6-nitro-quinoline-3-carboxylic acid
Formula: C22H27N3O5
MolecularWeight: 413.46688
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CCCCC4)[N+](=O)[O-]


Isomeric SMILES

C1CCC(CC1)NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CCCCC4)[N+](=O)[O-]


InChI

InChI=1S/C22H27N3O5/c26-21-16-11-20(25(29)30)18(23-14-7-3-1-4-8-14)12-19(16)24(13-17(21)22(27)28)15-9-5-2-6-10-15/h11-15,23H,1-10H2,(H,27,28)


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