3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)propanamide

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-(4-ethoxy-2-nitrophenyl)propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(4-ethoxy-2-nitro-phenyl)propionamide Formula: C16H19BrN4O4 MolecularWeight: 411.25046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN4O4/c1-4-25-12-5-6-13(14(9-12)21(23)24)18-15(22)7-8-20-11(3)16(17)10(2)19-20/h5-6,9H,4,7-8H2,1-3H3,(H,18,22)