(E)-4-(4-nitrophenyl)-2-(1,4,7-triazonan-1-yl)but-3-enal

Systemtic Name: (E)-4-(4-nitrophenyl)-2-(1,4,7-triazonan-1-yl)but-3-enal Openeye Name: (E)-4-(4-nitrophenyl)-2-(1,4,7-triazonan-1-yl)but-3-enal CAS Name: (E)-4-(4-nitrophenyl)-2-(1,4,7-triazonan-1-yl)-3-butenal IUPAC Name: (E)-4-(4-nitrophenyl)-2-(1,4,7-triazonan-1-yl)but-3-enal Traditional Name: (E)-4-(4-nitrophenyl)-2-(1,4,7-triazonan-1-yl)but-3-enal Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCN1)C(C=CC2=CC=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

C1CNCCN(CCN1)C(/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C16H22N4O3/c21-13-16(19-11-9-17-7-8-18-10-12-19)6-3-14-1-4-15(5-2-14)20(22)23/h1-6,13,16-18H,7-12H2/b6-3+