2-[4,7-bis(carboxymethyl)-10-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4,7-bis(carboxymethyl)-10-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-10-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-10-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(carboxymethyl)-10-[2-hydroxy-3-(4-nitrophenoxy)propyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C23H35N5O10 MolecularWeight: 541.5515

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C23H35N5O10/c29-19(17-38-20-3-1-18(2-4-20)28(36)37)13-24-5-7-25(14-21(30)31)9-11-27(16-23(34)35)12-10-26(8-6-24)15-22(32)33/h1-4,19,29H,5-17H2,(H,30,31)(H,32,33)(H,34,35)