3-(2-nitroethanoyl)-1-[(E)-oct-5-en-3-yl]quinolin-4-one hydrochloride

Systemtic Name: 3-(2-nitroethanoyl)-1-[(E)-oct-5-en-3-yl]quinolin-4-one hydrochloride Openeye Name: 1-[(E)-1-ethylhex-3-enyl]-3-(2-nitroacetyl)quinolin-4-one hydrochloride CAS Name: 3-(2-nitro-1-oxoethyl)-1-[(E)-oct-5-en-3-yl]-4-quinolinone hydrochloride IUPAC Name: 3-(2-nitroacetyl)-1-[(E)-oct-5-en-3-yl]quinolin-4-one hydrochloride Traditional Name: 1-[(E)-1-ethylhex-3-enyl]-3-(2-nitroacetyl)-4-quinolone hydrochloride Formula: C19H23ClN2O4 MolecularWeight: 378.84992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4.ClH/c1-3-5-6-9-14(4-2)20-12-16(18(22)13-21(24)25)19(23)15-10-7-8-11-17(15)20;/h5-8,10-12,14H,3-4,9,13H2,1-2H3;1H/b6-5+;