1-(4-chlorophenyl)-4-(3-methyl-4-nitro-phenoxy)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(4-chlorophenyl)-4-(3-methyl-4-nitro-phenoxy)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(4-chlorophenyl)-4-(3-methyl-4-nitro-phenoxy)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(4-chlorophenyl)-4-(3-methyl-4-nitro-phenoxy)pyrazolo[3,4-d]pyrimidine Formula: C18H12ClN5O3 MolecularWeight: 381.77258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H12ClN5O3/c1-11-8-14(6-7-16(11)24(25)26)27-18-15-9-22-23(17(15)20-10-21-18)13-4-2-12(19)3-5-13/h2-10H,1H3