3,3-bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methyl-5-nitro-indol-2-one

Systemtic Name: 3,3-bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methyl-5-nitro-indol-2-one Openeye Name: 3,3-bis(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-methyl-5-nitro-indolin-2-one CAS Name: 3,3-bis(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-methyl-5-nitro-2-indolone IUPAC Name: 3,3-bis(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-5-nitroindol-2-one Traditional Name: 3,3-bis(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-methyl-5-nitro-oxindole Formula: C31H28N6O5 MolecularWeight: 564.59122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3(C4=C(C=CC(=C4)[N+](=O)[O-])N(C3=O)C)C5=C(N(N(C5=O)C6=CC=CC=C6)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3(C4=C(C=CC(=C4)[N+](=O)[O-])N(C3=O)C)C5=C(N(N(C5=O)C6=CC=CC=C6)C)C

InChI

InChI=1S/C31H28N6O5/c1-19-26(28(38)35(33(19)4)21-12-8-6-9-13-21)31(24-18-23(37(41)42)16-17-25(24)32(3)30(31)40)27-20(2)34(5)36(29(27)39)22-14-10-7-11-15-22/h6-18H,1-5H3