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

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(3,5-dimethylisoxazol-4-yl)propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-(3,5-dimethyl-4-isoxazolyl)propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-(3,5-dimethylisoxazol-4-yl)propionamide Formula: C11H12BrN5O4 MolecularWeight: 358.14808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C11H12BrN5O4/c1-6-10(7(2)21-15-6)13-9(18)3-4-16-5-8(12)11(14-16)17(19)20/h5H,3-4H2,1-2H3,(H,13,18)