methyl 4-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoate

Systemtic Name: methyl 4-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoate Openeye Name: methyl 4-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoate CAS Name: 4-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoate Traditional Name: 4-(4-nitrophenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)butyric acid methyl ester Formula: C19H31N5O4 MolecularWeight: 393.48054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])N2CCNCCNCCNCC2

Isomeric SMILES

COC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])N2CCNCCNCCNCC2

InChI

InChI=1S/C19H31N5O4/c1-28-19(25)18(7-4-16-2-5-17(6-3-16)24(26)27)23-14-12-21-10-8-20-9-11-22-13-15-23/h2-3,5-6,18,20-22H,4,7-15H2,1H3