N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]-piperonylamide Formula: C19H13N5O5S MolecularWeight: 423.40202

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N/N=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O5S/c25-18(13-3-4-15-16(9-13)29-11-28-15)23-22-10-12-2-5-17(14(8-12)24(26)27)30-19-20-6-1-7-21-19/h1-10H,11H2,(H,23,25)/b22-10+