N-[5-[2-cyanoethyl(ethyl)amino]-2-methanoyl-4-methoxy-phenyl]-4-nitro-benzamide

Systemtic Name: N-[5-[2-cyanoethyl(ethyl)amino]-2-methanoyl-4-methoxy-phenyl]-4-nitro-benzamide Openeye Name: N-[5-[2-cyanoethyl(ethyl)amino]-2-formyl-4-methoxy-phenyl]-4-nitro-benzamide CAS Name: N-[5-[2-cyanoethyl(ethyl)amino]-2-formyl-4-methoxyphenyl]-4-nitrobenzamide IUPAC Name: N-[5-[2-cyanoethyl(ethyl)amino]-2-formyl-4-methoxyphenyl]-4-nitrobenzamide Traditional Name: N-[5-[2-cyanoethyl(ethyl)amino]-2-formyl-4-methoxy-phenyl]-4-nitro-benzamide Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=C(C=C(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C=O)OC

Isomeric SMILES

CCN(CCC#N)C1=C(C=C(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C=O)OC

InChI

InChI=1S/C20H20N4O5/c1-3-23(10-4-9-21)18-12-17(15(13-25)11-19(18)29-2)22-20(26)14-5-7-16(8-6-14)24(27)28/h5-8,11-13H,3-4,10H2,1-2H3,(H,22,26)