3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[4-(diethylamino)phenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[4-(diethylamino)phenyl]propionamide Formula: C16H20BrN5O3 MolecularWeight: 410.2657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN5O3/c1-3-20(4-2)13-7-5-12(6-8-13)18-15(23)9-10-21-11-14(17)16(19-21)22(24)25/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,23)