2-[[[4-(5-methylpyrazol-1-yl)phenyl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[4-(5-methylpyrazol-1-yl)phenyl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[4-(5-methyl-1-pyrazolyl)phenyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]methyl]-4-nitro-phenolate Formula: C18H15N4O4- MolecularWeight: 351.3361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H16N4O4/c1-12-8-9-20-21(12)15-4-2-13(3-5-15)18(24)19-11-14-10-16(22(25)26)6-7-17(14)23/h2-10,23H,11H2,1H3,(H,19,24)/p-1