2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-4-nitro-phenolate

Systemtic Name: 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-4-nitro-phenolate Openeye Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]-4-nitro-phenolate CAS Name: 2-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]-4-nitrophenolate IUPAC Name: 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-4-nitrophenolate Traditional Name: 2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]-4-nitro-phenolate Formula: C18H15N4O5- MolecularWeight: 367.3355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H16N4O5/c1-11-16(18(25)21(20(11)2)12-6-4-3-5-7-12)19-17(24)14-10-13(22(26)27)8-9-15(14)23/h3-10,23H,1-2H3,(H,19,24)/p-1