N'-(2-chloranyl-4-nitro-phenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethane-1,2-diamine

Systemtic Name: N'-(2-chloranyl-4-nitro-phenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethane-1,2-diamine Openeye Name: N'-(2-chloro-4-nitro-phenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethane-1,2-diamine CAS Name: N'-(2-chloro-4-nitrophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethane-1,2-diamine IUPAC Name: N'-(2-chloro-4-nitrophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethane-1,2-diamine Traditional Name: 2-(2-chloro-4-nitro-anilino)ethyl-veratryl-amine Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C17H20ClN3O4/c1-24-16-6-3-12(9-17(16)25-2)11-19-7-8-20-15-5-4-13(21(22)23)10-14(15)18/h3-6,9-10,19-20H,7-8,11H2,1-2H3