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

Systemtic Name: 2-[[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[1-(2-chlorobenzyl)pyrazole-4-carbonyl]amino]methyl]-4-nitro-phenolate Formula: C18H14ClN4O4- MolecularWeight: 385.78116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-])Cl

InChI

InChI=1S/C18H15ClN4O4/c19-16-4-2-1-3-12(16)10-22-11-14(9-21-22)18(25)20-8-13-7-15(23(26)27)5-6-17(13)24/h1-7,9,11,24H,8,10H2,(H,20,25)/p-1