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

Systemtic Name: N-[(E)-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-5-nitro-pyridine-2-carboxamide Openeye Name: N-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-5-nitro-pyridine-2-carboxamide CAS Name: N-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitro-2-pyridinecarboxamide IUPAC Name: N-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitropyridine-2-carboxamide Traditional Name: N-[(E)-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]-5-nitro-picolinamide Formula: C17H13BrN4O5 MolecularWeight: 433.21292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=NC=C(C=C2)[N+](=O)[O-])Br)OCC#C

InChI

InChI=1S/C17H13BrN4O5/c1-3-6-27-16-13(18)7-11(8-15(16)26-2)9-20-21-17(23)14-5-4-12(10-19-14)22(24)25/h1,4-5,7-10H,6H2,2H3,(H,21,23)/b20-9+