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

Systemtic Name: propan-2-yl (4E)-3-methyl-4-[(3-nitrophenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: isopropyl (4E)-3-methyl-4-[(3-nitrobenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4E)-3-methyl-4-[(3-nitrobenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-[(3-nitrobenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylic acid isopropyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CCC2)C(=O)OC(C)C

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])/CCC2)C(=O)OC(C)C

InChI

InChI=1S/C20H21N3O6/c1-11(2)28-20(25)18-12(3)17-15(8-5-9-16(17)29-18)21-22-19(24)13-6-4-7-14(10-13)23(26)27/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,22,24)/b21-15+