N-[(6-methyl-1,3-benzodioxol-5-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(6-methyl-1,3-benzodioxol-5-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(6-methyl-1,3-benzodioxol-5-yl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(6-methyl-1,3-benzodioxol-5-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(6-methyl-1,3-benzodioxol-5-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(6-methyl-1,3-benzodioxol-5-yl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C18H13N3O5S MolecularWeight: 383.37792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OCO2

Isomeric SMILES

CC1=CC2=C(C=C1C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OCO2

InChI

InChI=1S/C18H13N3O5S/c1-10-4-14-15(26-9-25-14)6-12(10)8-19-20-18(22)17-7-11-5-13(21(23)24)2-3-16(11)27-17/h2-8H,9H2,1H3,(H,20,22)