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

Systemtic Name: 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-3-nitro-benzoate Openeye Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]-3-nitro-benzoate CAS Name: 2-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]-3-nitrobenzoate IUPAC Name: 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-3-nitrobenzoate Traditional Name: 2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]-3-nitro-benzoate Formula: C19H15N4O6- MolecularWeight: 395.3456

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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-])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O6/c1-11-16(18(25)22(21(11)2)12-7-4-3-5-8-12)20-17(24)15-13(19(26)27)9-6-10-14(15)23(28)29/h3-10H,1-2H3,(H,20,24)(H,26,27)/p-1