N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-[2-(4-nitroanilino)ethyl]amine Formula: C22H23BrN4O4 MolecularWeight: 487.34642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCCNC2=CC=C(C=C2)[N+](=O)[O-])Br)OCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCCNC2=CC=C(C=C2)[N+](=O)[O-])Br)OCC3=CN=CC=C3

InChI

InChI=1S/C22H23BrN4O4/c1-30-21-12-17(11-20(23)22(21)31-15-16-3-2-8-24-13-16)14-25-9-10-26-18-4-6-19(7-5-18)27(28)29/h2-8,11-13,25-26H,9-10,14-15H2,1H3