N1,N3-bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-nitro-benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-nitro-benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N,N'-bis(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-nitro-isophthalamide Formula: C30H27N7O6 MolecularWeight: 581.57868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C30H27N7O6/c1-18-25(29(40)35(33(18)3)22-11-7-5-8-12-22)31-27(38)20-15-21(17-24(16-20)37(42)43)28(39)32-26-19(2)34(4)36(30(26)41)23-13-9-6-10-14-23/h5-17H,1-4H3,(H,31,38)(H,32,39)