4-chloranyl-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-6-nitro-phenolate Formula: C18H14ClN4O4- MolecularWeight: 385.78116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O4/c1-11-16(18(25)22(21(11)2)14-6-4-3-5-7-14)20-10-12-8-13(19)9-15(17(12)24)23(26)27/h3-10,24H,1-2H3/p-1