6-azanyl-4-(4-chloranyl-3-nitro-phenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-(4-chloranyl-3-nitro-phenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(4-chloro-3-nitro-phenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(4-chloro-3-nitrophenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(4-chloro-3-nitrophenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(4-chloro-3-nitro-phenyl)-3-(4-propoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C22H18ClN5O4 MolecularWeight: 451.86242

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN5O4/c1-2-9-31-14-6-3-12(4-7-14)20-19-18(13-5-8-16(23)17(10-13)28(29)30)15(11-24)21(25)32-22(19)27-26-20/h3-8,10,18H,2,9,25H2,1H3,(H,26,27)