N-[4-(cyanomethyl)phenyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-ethoxy-3-nitro-benzamide Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4/c1-2-24-16-8-5-13(11-15(16)20(22)23)17(21)19-14-6-3-12(4-7-14)9-10-18/h3-8,11H,2,9H2,1H3,(H,19,21)