N-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine

Systemtic Name: N-[(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine Openeye Name: N-[(4-benzyloxy-3-chloro-5-ethoxy-phenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine CAS Name: N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine IUPAC Name: N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine Traditional Name: (4-benzoxy-3-chloro-5-ethoxy-benzyl)-[2-(4-nitroanilino)ethyl]amine Formula: C24H26ClN3O4 MolecularWeight: 453.940093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNCCNC2=CC=C(C=C2)[N+](=O)[O-])Cl)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNCCN[10C]2=CC=C(C=C2)[N+](=O)[O-])Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C24H26ClN3O4/c1-2-31-23-15-19(14-22(25)24(23)32-17-18-6-4-3-5-7-18)16-26-12-13-27-20-8-10-21(11-9-20)28(29)30/h3-11,14-15,26-27H,2,12-13,16-17H2,1H3/i20-2