1-heptan-3-yl-3-(2-nitroethanoyl)quinolin-4-one hydrochloride

Systemtic Name: 1-heptan-3-yl-3-(2-nitroethanoyl)quinolin-4-one hydrochloride Openeye Name: 1-(1-ethylpentyl)-3-(2-nitroacetyl)quinolin-4-one hydrochloride CAS Name: 1-heptan-3-yl-3-(2-nitro-1-oxoethyl)-4-quinolinone hydrochloride IUPAC Name: 1-heptan-3-yl-3-(2-nitroacetyl)quinolin-4-one hydrochloride Traditional Name: 1-(1-ethylpentyl)-3-(2-nitroacetyl)-4-quinolone hydrochloride Formula: C18H23ClN2O4 MolecularWeight: 366.83922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)N1C=C(C(=O)C2=CC=CC=C21)C(=O)C[N+](=O)[O-].Cl

Isomeric SMILES

CCCCC(CC)N1C=C(C(=O)C2=CC=CC=C21)C(=O)C[N+](=O)[O-].Cl

InChI

InChI=1S/C18H22N2O4.ClH/c1-3-5-8-13(4-2)19-11-15(17(21)12-20(23)24)18(22)14-9-6-7-10-16(14)19;/h6-7,9-11,13H,3-5,8,12H2,1-2H3;1H