azepan-1-yl-[(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]methanone

Systemtic Name: azepan-1-yl-[(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]methanone Openeye Name: azepan-1-yl-[(4E)-4-[(2,4-dinitrophenyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-yl]methanone CAS Name: 1-azepanyl-[(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-yl]methanone IUPAC Name: azepan-1-yl-[(4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-yl]methanone Traditional Name: azepan-1-yl-[(4E)-4-[(2,4-dinitrophenyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-yl]methanone Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CCC2)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/CCC2)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N5O6/c1-14-20-17(24-23-16-10-9-15(26(29)30)13-18(16)27(31)32)7-6-8-19(20)33-21(14)22(28)25-11-4-2-3-5-12-25/h9-10,13,23H,2-8,11-12H2,1H3/b24-17+