N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2H-benzotriazole-5-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2H-benzotriazole-5-carboxamide Formula: C17H17N5O5 MolecularWeight: 371.34738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC3=NNN=C3C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC3=NNN=C3C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17N5O5/c1-26-15-8-10(14(22(24)25)9-16(15)27-2)5-6-18-17(23)11-3-4-12-13(7-11)20-21-19-12/h3-4,7-9H,5-6H2,1-2H3,(H,18,23)(H,19,20,21)