N-[5-(diethylamino)-1-(4-nitrophenyl)pentyl]-4-nitro-benzamide hydrochloride

Systemtic Name: N-[5-(diethylamino)-1-(4-nitrophenyl)pentyl]-4-nitro-benzamide hydrochloride Openeye Name: N-[5-(diethylamino)-1-(4-nitrophenyl)pentyl]-4-nitro-benzamide hydrochloride CAS Name: N-[5-(diethylamino)-1-(4-nitrophenyl)pentyl]-4-nitrobenzamide hydrochloride IUPAC Name: N-[5-(diethylamino)-1-(4-nitrophenyl)pentyl]-4-nitrobenzamide hydrochloride Traditional Name: N-[5-(diethylamino)-1-(4-nitrophenyl)pentyl]-4-nitro-benzamide hydrochloride Formula: C22H29ClN4O5 MolecularWeight: 464.94246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCC(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CCN(CC)CCCCC(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C22H28N4O5.ClH/c1-3-24(4-2)16-6-5-7-21(17-8-12-19(13-9-17)25(28)29)23-22(27)18-10-14-20(15-11-18)26(30)31;/h8-15,21H,3-7,16H2,1-2H3,(H,23,27);1H