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

Systemtic Name: [3-(6-azanyl-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [3-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [3-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester IUPAC Name: [3-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [3-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester Formula: C27H19N5O5 MolecularWeight: 493.47026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=CC(=C2)C3C(=C(OC4=NNC(=C34)C5=CC=CC=C5)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=CC(=C2)C3C(=C(OC4=NNC(=C34)C5=CC=CC=C5)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C27H19N5O5/c1-15-12-18(10-11-21(15)32(34)35)27(33)36-19-9-5-8-17(13-19)22-20(14-28)25(29)37-26-23(22)24(30-31-26)16-6-3-2-4-7-16/h2-13,22H,29H2,1H3,(H,30,31)