N-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C20H14BrN3O5S MolecularWeight: 488.31126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br)OCC#C

InChI

InChI=1S/C20H14BrN3O5S/c1-3-6-29-19-15(21)7-12(8-16(19)28-2)11-22-23-20(25)18-10-13-9-14(24(26)27)4-5-17(13)30-18/h1,4-5,7-11H,6H2,2H3,(H,23,25)