3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[1-[(2,4-dimethylphenoxy)methyl]-4-pyrazolyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]propionamide Formula: C18H19BrN6O4 MolecularWeight: 463.28526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C18H19BrN6O4/c1-12-3-4-16(13(2)7-12)29-11-24-9-14(8-20-24)21-17(26)5-6-23-10-15(19)18(22-23)25(27)28/h3-4,7-10H,5-6,11H2,1-2H3,(H,21,26)