3-methylbutyl 4-[6-azanyl-5-cyano-3-methyl-4-(4-nitrophenyl)-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate

Systemtic Name: 3-methylbutyl 4-[6-azanyl-5-cyano-3-methyl-4-(4-nitrophenyl)-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Openeye Name: isopentyl 4-[6-amino-5-cyano-3-methyl-4-(4-nitrophenyl)-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate CAS Name: 4-[6-amino-5-cyano-3-methyl-4-(4-nitrophenyl)-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-[6-amino-5-cyano-3-methyl-4-(4-nitrophenyl)-4H-pyrano[2,3-c]pyrazol-1-yl]benzoate Traditional Name: 4-[6-amino-5-cyano-3-methyl-4-(4-nitrophenyl)-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid isoamyl ester Formula: C26H25N5O5 MolecularWeight: 487.5072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)OCCC(C)C

Isomeric SMILES

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)OCCC(C)C

InChI

InChI=1S/C26H25N5O5/c1-15(2)12-13-35-26(32)18-6-8-19(9-7-18)30-25-22(16(3)29-30)23(21(14-27)24(28)36-25)17-4-10-20(11-5-17)31(33)34/h4-11,15,23H,12-13,28H2,1-3H3