2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-3,5-dinitro-benzoic acid Openeye Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-3,5-dinitro-benzoic acid CAS Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-3,5-dinitrobenzoic acid IUPAC Name: 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3,5-dinitrobenzoic acid Traditional Name: 2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-3,5-dinitro-benzoic acid Formula: C18H15N5O7 MolecularWeight: 413.341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C=C(C=C3C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C(C=C(C=C3C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O7/c1-10-15(17(24)21(20(10)2)11-6-4-3-5-7-11)19-16-13(18(25)26)8-12(22(27)28)9-14(16)23(29)30/h3-9,19H,1-2H3,(H,25,26)