N-[(4-cyanophenyl)methyl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[(4-cyanophenyl)methyl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[(4-cyanophenyl)methyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[(4-cyanophenyl)methyl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-(4-cyanobenzyl)-3,4,5-trimethoxy-2-nitro-benzamide Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCC2=CC=C(C=C2)C#N)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCC2=CC=C(C=C2)C#N)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H17N3O6/c1-25-14-8-13(15(21(23)24)17(27-3)16(14)26-2)18(22)20-10-12-6-4-11(9-19)5-7-12/h4-8H,10H2,1-3H3,(H,20,22)