6-azanyl-4-(3-ethoxy-4-oxidanyl-phenyl)-1-(4-iodophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-(3-ethoxy-4-oxidanyl-phenyl)-1-(4-iodophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(3-ethoxy-4-hydroxy-phenyl)-1-(4-iodophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(3-ethoxy-4-hydroxyphenyl)-1-(4-iodophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(3-ethoxy-4-hydroxyphenyl)-1-(4-iodophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(3-ethoxy-4-hydroxy-phenyl)-1-(4-iodophenyl)-3-methyl-6H-pyrano[2,3-c]pyrazole-5-carbonitrile Formula: C22H19IN4O3 MolecularWeight: 514.31573

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=C(C(OC3=C2C(=NN3C4=CC=C(C=C4)I)C)N)C#N)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=C(C(OC3=C2C(=NN3C4=CC=C(C=C4)I)C)N)C#N)O

InChI

InChI=1S/C22H19IN4O3/c1-3-29-18-10-13(4-9-17(18)28)20-16(11-24)21(25)30-22-19(20)12(2)26-27(22)15-7-5-14(23)6-8-15/h4-10,21,28H,3,25H2,1-2H3