N-[(E)-(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-5-nitro-pyridin-2-amine

Systemtic Name: N-[(E)-(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-5-nitro-pyridin-2-amine Openeye Name: N-[(E)-(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-5-nitro-pyridin-2-amine CAS Name: N-[(E)-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitro-2-pyridinamine IUPAC Name: N-[(E)-(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitropyridin-2-amine Traditional Name: [(E)-(3-iodo-5-methoxy-4-propargyloxy-benzylidene)amino]-(5-nitro-2-pyridyl)amine Formula: C16H13IN4O4 MolecularWeight: 452.20329

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC2=NC=C(C=C2)[N+](=O)[O-])I)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC2=NC=C(C=C2)[N+](=O)[O-])I)OCC#C

InChI

InChI=1S/C16H13IN4O4/c1-3-6-25-16-13(17)7-11(8-14(16)24-2)9-19-20-15-5-4-12(10-18-15)21(22)23/h1,4-5,7-10H,6H2,2H3,(H,18,20)/b19-9+