6-nitro-4-oxidanylidene-1-pentan-2-yl-7-(pentan-2-ylamino)quinoline-3-carboxylic acid

Systemtic Name: 6-nitro-4-oxidanylidene-1-pentan-2-yl-7-(pentan-2-ylamino)quinoline-3-carboxylic acid Openeye Name: 1-(1-methylbutyl)-7-(1-methylbutylamino)-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-nitro-4-oxo-1-pentan-2-yl-7-(pentan-2-ylamino)-3-quinolinecarboxylic acid IUPAC Name: 6-nitro-4-oxo-1-pentan-2-yl-7-(pentan-2-ylamino)quinoline-3-carboxylic acid Traditional Name: 4-keto-1-(1-methylbutyl)-7-(1-methylbutylamino)-6-nitro-quinoline-3-carboxylic acid Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(C)CCC)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)NC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(C)CCC)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5/c1-5-7-12(3)21-16-10-17-14(9-18(16)23(27)28)19(24)15(20(25)26)11-22(17)13(4)8-6-2/h9-13,21H,5-8H2,1-4H3,(H,25,26)