6-azanyl-4-[3-bromanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-[3-bromanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-[3-bromo-5-methoxy-4-(3-nitrobenzyl)oxy-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C22H18BrN5O5 MolecularWeight: 512.31282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C(=C3)Br)OCC4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C(=C3)Br)OCC4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H18BrN5O5/c1-11-18-19(15(9-24)21(25)33-22(18)27-26-11)13-7-16(23)20(17(8-13)31-2)32-10-12-4-3-5-14(6-12)28(29)30/h3-8,19H,10,25H2,1-2H3,(H,26,27)