N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-(2-chloro-4-nitroanilino)propyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-(2-chloro-4-nitroanilino)propyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-3,4-dimethoxy-benzamide Formula: C18H20ClN3O5 MolecularWeight: 393.8215

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C18H20ClN3O5/c1-26-16-7-4-12(10-17(16)27-2)18(23)21-9-3-8-20-15-6-5-13(22(24)25)11-14(15)19/h4-7,10-11,20H,3,8-9H2,1-2H3,(H,21,23)