4-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoic acid

Systemtic Name: 4-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoic acid Openeye Name: 4-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoic acid CAS Name: 4-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoic acid IUPAC Name: 4-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoic acid Traditional Name: 4-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)butyric acid Formula: C18H29N5O4 MolecularWeight: 379.45396

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)C(CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CNCCN(CCNCCN1)C(CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H29N5O4/c24-18(25)17(6-3-15-1-4-16(5-2-15)23(26)27)22-13-11-20-9-7-19-8-10-21-12-14-22/h1-2,4-5,17,19-21H,3,6-14H2,(H,24,25)