2-[[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]methyl]-4-nitro-phenolate Formula: C17H12ClN4O4- MolecularWeight: 371.75458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=NN2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=NN2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-])Cl

InChI

InChI=1S/C17H13ClN4O4/c18-12-3-1-10(2-4-12)16-14(9-20-21-16)17(24)19-8-11-7-13(22(25)26)5-6-15(11)23/h1-7,9,23H,8H2,(H,19,24)(H,20,21)/p-1