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

Systemtic Name: 2-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)ethanoic acid Openeye Name: 2-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid CAS Name: 2-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid IUPAC Name: 2-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid Traditional Name: 2-(4-nitrophenyl)-2-(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(CCNCCN1)C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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