N-(3-cyclopenta-1,3-dien-1-yl-8-nitro-quinoxalin-2-yl)-N',N'-diethyl-butane-1,4-diamine

Systemtic Name: N-(3-cyclopenta-1,3-dien-1-yl-8-nitro-quinoxalin-2-yl)-N',N'-diethyl-butane-1,4-diamine Openeye Name: N-(3-cyclopenta-1,3-dien-1-yl-8-nitro-quinoxalin-2-yl)-N',N'-diethyl-butane-1,4-diamine CAS Name: N-[3-(1-cyclopenta-1,3-dienyl)-8-nitro-2-quinoxalinyl]-N',N'-diethylbutane-1,4-diamine IUPAC Name: N-(3-cyclopenta-1,3-dien-1-yl-8-nitroquinoxalin-2-yl)-N',N'-diethylbutane-1,4-diamine Traditional Name: 4-[(3-cyclopenta-1,3-dien-1-yl-8-nitro-quinoxalin-2-yl)amino]butyl-diethyl-amine Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCNC1=NC2=C(C=CC=C2[N+](=O)[O-])N=C1C3=CC=CC3

Isomeric SMILES

CCN(CC)CCCCNC1=NC2=C(C=CC=C2[N+](=O)[O-])N=C1C3=CC=CC3

InChI

InChI=1S/C21H27N5O2/c1-3-25(4-2)15-8-7-14-22-21-19(16-10-5-6-11-16)23-17-12-9-13-18(26(27)28)20(17)24-21/h5-6,9-10,12-13H,3-4,7-8,11,14-15H2,1-2H3,(H,22,24)