N-[4-(cyanomethoxy)phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide

Systemtic Name: N-[4-(cyanomethoxy)phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide Openeye Name: N-[4-(cyanomethoxy)phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide CAS Name: N-[4-(cyanomethoxy)phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide IUPAC Name: N-[4-(cyanomethoxy)phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide Traditional Name: N-[4-(cyanomethoxy)phenyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)OCC#N)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)OCC#N)OC

InChI

InChI=1S/C19H19N3O7/c1-26-9-10-29-18-12-16(22(24)25)15(11-17(18)27-2)19(23)21-13-3-5-14(6-4-13)28-8-7-20/h3-6,11-12H,8-10H2,1-2H3,(H,21,23)