N-[(4-cyanophenyl)methyl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[(4-cyanophenyl)methyl]-2-methoxy-5-nitro-benzamide CAS Name: N-[(4-cyanophenyl)methyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[(4-cyanophenyl)methyl]-2-methoxy-5-nitrobenzamide Traditional Name: N-(4-cyanobenzyl)-2-methoxy-5-nitro-benzamide Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4/c1-23-15-7-6-13(19(21)22)8-14(15)16(20)18-10-12-4-2-11(9-17)3-5-12/h2-8H,10H2,1H3,(H,18,20)