4-(4-nitrophenyl)-2-(1,4,7-triazonan-1-yl)butanoic acid

Systemtic Name: 4-(4-nitrophenyl)-2-(1,4,7-triazonan-1-yl)butanoic acid Openeye Name: 4-(4-nitrophenyl)-2-(1,4,7-triazonan-1-yl)butanoic acid CAS Name: 4-(4-nitrophenyl)-2-(1,4,7-triazonan-1-yl)butanoic acid IUPAC Name: 4-(4-nitrophenyl)-2-(1,4,7-triazonan-1-yl)butanoic acid Traditional Name: 4-(4-nitrophenyl)-2-(1,4,7-triazonan-1-yl)butyric acid Formula: C16H24N4O4 MolecularWeight: 336.38616

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCN1)C(CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CNCCN(CCN1)C(CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H24N4O4/c21-16(22)15(19-11-9-17-7-8-18-10-12-19)6-3-13-1-4-14(5-2-13)20(23)24/h1-2,4-5,15,17-18H,3,6-12H2,(H,21,22)