4-nitro-2-[[2-(1-phenylpyrazol-4-yl)ethanoylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[2-(1-phenylpyrazol-4-yl)ethanoylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]phenolate CAS Name: 4-nitro-2-[[[1-oxo-2-(1-phenyl-4-pyrazolyl)ethyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]phenolate Traditional Name: 4-nitro-2-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]phenolate Formula: C18H15N4O4- MolecularWeight: 351.3361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H16N4O4/c23-17-7-6-16(22(25)26)9-14(17)11-19-18(24)8-13-10-20-21(12-13)15-4-2-1-3-5-15/h1-7,9-10,12,23H,8,11H2,(H,19,24)/p-1