N'-[3-methoxy-4-(3-methylbutoxy)phenyl]carbonyl-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide

Systemtic Name: N'-[3-methoxy-4-(3-methylbutoxy)phenyl]carbonyl-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide Openeye Name: N'-(4-isopentyloxy-3-methoxy-benzoyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide CAS Name: N'-[[3-methoxy-4-(3-methylbutoxy)phenyl]-oxomethyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carbohydrazide IUPAC Name: N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide Traditional Name: N'-(4-isoamoxy-3-methoxy-benzoyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carbohydrazide Formula: C22H25N3O8 MolecularWeight: 459.4492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)OC

InChI

InChI=1S/C22H25N3O8/c1-13(2)6-7-31-17-5-4-14(10-18(17)30-3)21(26)23-24-22(27)15-11-19-20(33-9-8-32-19)12-16(15)25(28)29/h4-5,10-13H,6-9H2,1-3H3,(H,23,26)(H,24,27)