4,5-dimethyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]furan-3-carbonitrile

Systemtic Name: 4,5-dimethyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]furan-3-carbonitrile Openeye Name: 4,5-dimethyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]furan-3-carbonitrile CAS Name: 4,5-dimethyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-furancarbonitrile IUPAC Name: 4,5-dimethyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]furan-3-carbonitrile Traditional Name: 4,5-dimethyl-2-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-furonitrile Formula: C15H11N3O5 MolecularWeight: 313.26494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

Isomeric SMILES

CC1=C(OC(=C1C#N)/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

InChI

InChI=1S/C15H11N3O5/c1-8-9(2)23-15(11(8)5-16)17-6-10-3-13-14(22-7-21-13)4-12(10)18(19)20/h3-4,6H,7H2,1-2H3/b17-6+