propyl 4-[[3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: propyl 4-[[3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 4-[[[3-[(4-bromo-3-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 4-[[3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzoyl]amino]benzoic acid propyl ester Formula: C21H19BrN4O5 MolecularWeight: 487.30336

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C21H19BrN4O5/c1-2-10-31-21(28)15-6-8-17(9-7-15)23-20(27)16-5-3-4-14(11-16)12-25-13-18(22)19(24-25)26(29)30/h3-9,11,13H,2,10,12H2,1H3,(H,23,27)