2-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-6-nitro-phenolate

Systemtic Name: 2-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-6-nitro-phenolate Openeye Name: 2-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-6-nitro-phenolate CAS Name: 2-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-6-nitrophenolate IUPAC Name: 2-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-6-nitrophenolate Traditional Name: 2-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-6-nitro-phenolate Formula: C27H22N5O5- MolecularWeight: 496.49408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=C(C(=CC=C3)[N+](=O)[O-])[O-])C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=C(C(=CC=C3)[N+](=O)[O-])[O-])C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C27H23N5O5/c1-16-22(26(34)30(28-16)18-10-5-3-6-11-18)24(20-14-9-15-21(25(20)33)32(36)37)23-17(2)29-31(27(23)35)19-12-7-4-8-13-19/h3-15,24,28-29,33H,1-2H3/p-1