N-[(3-bromanyl-4-propan-2-yloxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3-bromanyl-4-propan-2-yloxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-bromo-4-isopropoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-bromo-4-isopropoxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C19H16BrN3O4S MolecularWeight: 462.31704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C19H16BrN3O4S/c1-11(2)27-16-5-3-12(7-15(16)20)10-21-22-19(24)18-9-13-8-14(23(25)26)4-6-17(13)28-18/h3-11H,1-2H3,(H,22,24)