methyl 4-[6-azanyl-5-cyano-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]benzoate

Systemtic Name: methyl 4-[6-azanyl-5-cyano-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]benzoate Openeye Name: methyl 4-[6-amino-5-cyano-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]benzoate CAS Name: 4-[6-amino-5-cyano-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-amino-5-cyano-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]benzoate Traditional Name: 4-[6-amino-5-cyano-4-(3-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]benzoic acid methyl ester Formula: C21H15N5O5 MolecularWeight: 417.3743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N5O5/c1-30-21(27)12-7-5-11(6-8-12)18-17-16(13-3-2-4-14(9-13)26(28)29)15(10-22)19(23)31-20(17)25-24-18/h2-9,16H,23H2,1H3,(H,24,25)