5-bromanyl-N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[3-(2-chloro-4-nitro-anilino)propyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[3-(2-chloro-4-nitroanilino)propyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[3-(2-chloro-4-nitroanilino)propyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[3-(2-chloro-4-nitro-anilino)propyl]-2-methoxy-benzamide Formula: C17H17BrClN3O4 MolecularWeight: 442.69158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrClN3O4/c1-26-16-6-3-11(18)9-13(16)17(23)21-8-2-7-20-15-5-4-12(22(24)25)10-14(15)19/h3-6,9-10,20H,2,7-8H2,1H3,(H,21,23)