phenyl (4E)-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: phenyl (4E)-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: phenyl (4E)-3-methyl-4-[(4-nitrophenyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid phenyl ester IUPAC Name: phenyl (4E)-3-methyl-4-[(4-nitrophenyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-[(4-nitrophenyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylic acid phenyl ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC3=CC=C(C=C3)[N+](=O)[O-])CCC2)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC3=CC=C(C=C3)[N+](=O)[O-])/CCC2)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O5/c1-14-20-18(24-23-15-10-12-16(13-11-15)25(27)28)8-5-9-19(20)30-21(14)22(26)29-17-6-3-2-4-7-17/h2-4,6-7,10-13,23H,5,8-9H2,1H3/b24-18+