5-[(E)-[bis(3-methylphenoxy)phosphorylhydrazinylidene]methyl]-6-nitro-1,3-benzodioxole

Systemtic Name: 5-[(E)-[bis(3-methylphenoxy)phosphorylhydrazinylidene]methyl]-6-nitro-1,3-benzodioxole Openeye Name: 5-[(E)-[bis(3-methylphenoxy)phosphorylhydrazono]methyl]-6-nitro-1,3-benzodioxole CAS Name: 5-[(E)-[bis(3-methylphenoxy)phosphorylhydrazinylidene]methyl]-6-nitro-1,3-benzodioxole IUPAC Name: 5-[(E)-[bis(3-methylphenoxy)phosphorylhydrazinylidene]methyl]-6-nitro-1,3-benzodioxole Traditional Name: bis(3-methylphenoxy)phosphoryl-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C22H20N3O7P MolecularWeight: 469.383861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OP(=O)(NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)OC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)OP(=O)(N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)OC4=CC=CC(=C4)C

InChI

InChI=1S/C22H20N3O7P/c1-15-5-3-7-18(9-15)31-33(28,32-19-8-4-6-16(2)10-19)24-23-13-17-11-21-22(30-14-29-21)12-20(17)25(26)27/h3-13H,14H2,1-2H3,(H,24,28)/b23-13+