5-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)pentanoic acid

Systemtic Name: 5-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)pentanoic acid Openeye Name: 5-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)pentanoic acid CAS Name: 5-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)pentanoic acid IUPAC Name: 5-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)pentanoic acid Traditional Name: 5-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)valeric acid Formula: C19H31N5O4 MolecularWeight: 393.48054

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)C(CCCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CNCCN(CCNCCN1)C(CCCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H31N5O4/c25-19(26)18(3-1-2-16-4-6-17(7-5-16)24(27)28)23-14-12-21-10-8-20-9-11-22-13-15-23/h4-7,18,20-22H,1-3,8-15H2,(H,25,26)