5-azanyl-4-cyano-3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiophene-2-carboxamide

Systemtic Name: 5-azanyl-4-cyano-3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiophene-2-carboxamide Openeye Name: 5-amino-4-cyano-3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiophene-2-carboxamide CAS Name: 5-amino-4-cyano-3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-thiophenecarboxamide IUPAC Name: 5-amino-4-cyano-3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiophene-2-carboxamide Traditional Name: 5-amino-4-cyano-3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiophene-2-carboxamide Formula: C15H11N5O5S MolecularWeight: 373.34334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N5O5S/c1-7-9(4-16)14(17)26-13(7)15(21)19-18-5-8-2-11-12(25-6-24-11)3-10(8)20(22)23/h2-3,5H,6,17H2,1H3,(H,19,21)/b18-5+