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

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]propionamide Formula: C20H23BrN6O5 MolecularWeight: 507.33782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)OCC

InChI

InChI=1S/C20H23BrN6O5/c1-3-31-17-6-5-14(9-18(17)32-4-2)11-26-12-15(10-22-26)23-19(28)7-8-25-13-16(21)20(24-25)27(29)30/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,23,28)