2-[2-(4-nitrophenyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[2-(4-nitrophenyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[2-(4-nitrophenyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[2-(4-nitrophenyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[2-(4-nitrophenyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[2-(4-nitrophenyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C(CNCCN1)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1CNCCN(C(CNCCN1)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C16H25N5O4/c22-16(23)12-20-10-9-18-6-5-17-7-8-19-11-15(20)13-1-3-14(4-2-13)21(24)25/h1-4,15,17-19H,5-12H2,(H,22,23)