N-[(E)-[3-bromanyl-4-(2,4-dinitrophenoxy)-5-methoxy-phenyl]methylideneamino]thiophene-2-carboxamide

Systemtic Name: N-[(E)-[3-bromanyl-4-(2,4-dinitrophenoxy)-5-methoxy-phenyl]methylideneamino]thiophene-2-carboxamide Openeye Name: N-[(E)-[3-bromo-4-(2,4-dinitrophenoxy)-5-methoxy-phenyl]methyleneamino]thiophene-2-carboxamide CAS Name: N-[(E)-[3-bromo-4-(2,4-dinitrophenoxy)-5-methoxyphenyl]methylideneamino]-2-thiophenecarboxamide IUPAC Name: N-[(E)-[3-bromo-4-(2,4-dinitrophenoxy)-5-methoxyphenyl]methylideneamino]thiophene-2-carboxamide Traditional Name: N-[(E)-[3-bromo-4-(2,4-dinitrophenoxy)-5-methoxy-benzylidene]amino]thiophene-2-carboxamide Formula: C19H13BrN4O7S MolecularWeight: 521.29812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC=CS2)Br)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC=CS2)Br)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H13BrN4O7S/c1-30-16-8-11(10-21-22-19(25)17-3-2-6-32-17)7-13(20)18(16)31-15-5-4-12(23(26)27)9-14(15)24(28)29/h2-10H,1H3,(H,22,25)/b21-10+