N-(4-ethoxy-2-nitro-phenyl)-3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanamide

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanamide Openeye Name: N-(4-ethoxy-2-nitro-phenyl)-3-(4-iodo-5-methyl-pyrazol-1-yl)propanamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-3-(4-iodo-5-methyl-1-pyrazolyl)propanamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide Traditional Name: N-(4-ethoxy-2-nitro-phenyl)-3-(4-iodo-5-methyl-pyrazol-1-yl)propionamide Formula: C15H17IN4O4 MolecularWeight: 444.22435

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CCN2C(=C(C=N2)I)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CCN2C(=C(C=N2)I)C)[N+](=O)[O-]

InChI

InChI=1S/C15H17IN4O4/c1-3-24-11-4-5-13(14(8-11)20(22)23)18-15(21)6-7-19-10(2)12(16)9-17-19/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,21)