N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-N'-(2-chloranyl-4-nitro-phenyl)ethane-1,2-diamine

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-N'-(2-chloranyl-4-nitro-phenyl)ethane-1,2-diamine Openeye Name: N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]-N'-(2-chloro-4-nitro-phenyl)ethane-1,2-diamine CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-[2-(2-chloro-4-nitro-anilino)ethyl]amine Formula: C23H23BrClN3O4 MolecularWeight: 520.80342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrClN3O4/c1-31-22-12-17(11-19(24)23(22)32-15-16-5-3-2-4-6-16)14-26-9-10-27-21-8-7-18(28(29)30)13-20(21)25/h2-8,11-13,26-27H,9-10,14-15H2,1H3