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

Systemtic Name: N-[(E)-(3-ethoxy-5-iodanyl-4-prop-2-ynoxy-phenyl)methylideneamino]-3-nitro-pyridin-2-amine Openeye Name: N-[(E)-(3-ethoxy-5-iodo-4-prop-2-ynoxy-phenyl)methyleneamino]-3-nitro-pyridin-2-amine CAS Name: N-[(E)-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitro-2-pyridinamine IUPAC Name: N-[(E)-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine Traditional Name: [(E)-(3-ethoxy-5-iodo-4-propargyloxy-benzylidene)amino]-(3-nitro-2-pyridyl)amine Formula: C17H15IN4O4 MolecularWeight: 466.22987

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC2=C(C=CC=N2)[N+](=O)[O-])I)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC2=C(C=CC=N2)[N+](=O)[O-])I)OCC#C

InChI

InChI=1S/C17H15IN4O4/c1-3-8-26-16-13(18)9-12(10-15(16)25-4-2)11-20-21-17-14(22(23)24)6-5-7-19-17/h1,5-7,9-11H,4,8H2,2H3,(H,19,21)/b20-11+