methanol; 2-(4-methoxyphenyl)-N-(4-methylphenyl)-4,6-dinitro-1-oxidanyl-indazol-3-imine

Systemtic Name: methanol; 2-(4-methoxyphenyl)-N-(4-methylphenyl)-4,6-dinitro-1-oxidanyl-indazol-3-imine Openeye Name: 1-hydroxy-2-(4-methoxyphenyl)-4,6-dinitro-N-(p-tolyl)indazol-3-imine; methanol CAS Name: 1-hydroxy-2-(4-methoxyphenyl)-N-(4-methylphenyl)-4,6-dinitro-3-indazolimine; methanol IUPAC Name: 1-hydroxy-2-(4-methoxyphenyl)-N-(4-methylphenyl)-4,6-dinitroindazol-3-imine; methanol Traditional Name: [1-hydroxy-2-(4-methoxyphenyl)-4,6-dinitro-indazolin-3-ylidene]-(p-tolyl)amine; methanol Formula: C22H21N5O7 MolecularWeight: 467.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C2C3=C(C=C(C=C3N(N2C4=CC=C(C=C4)OC)O)[N+](=O)[O-])[N+](=O)[O-].CO

Isomeric SMILES

CC1=CC=C(C=C1)N=C2C3=C(C=C(C=C3N(N2C4=CC=C(C=C4)OC)O)[N+](=O)[O-])[N+](=O)[O-].CO

InChI

InChI=1S/C21H17N5O6.CH4O/c1-13-3-5-14(6-4-13)22-21-20-18(11-16(25(28)29)12-19(20)26(30)31)24(27)23(21)15-7-9-17(32-2)10-8-15;1-2/h3-12,27H,1-2H3;2H,1H3