N-[N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-C-(4-nitrophenyl)carbonimidoyl]ethanamide

Systemtic Name: N-[N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-C-(4-nitrophenyl)carbonimidoyl]ethanamide Openeye Name: N-[N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-C-(4-nitrophenyl)carbonimidoyl]acetamide CAS Name: N-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)imino-(4-nitrophenyl)methyl]acetamide IUPAC Name: N-[N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-C-(4-nitrophenyl)carbonimidoyl]acetamide Traditional Name: N-[N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-C-(4-nitrophenyl)carbonimidoyl]acetamide Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=NC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(=NC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-12(26)23-20(14-5-7-15(8-6-14)25(28)29)24-18-16-10-13(11-22)4-9-17(16)30-21(2,3)19(18)27/h4-10,18-19,27H,1-3H3,(H,23,24,26)