(pentanoylamino) 4-[6-(2-cyanophenyl)pyridin-3-yl]-2-methyl-3-nitro-benzoate

Systemtic Name: (pentanoylamino) 4-[6-(2-cyanophenyl)pyridin-3-yl]-2-methyl-3-nitro-benzoate Openeye Name: (pentanoylamino) 4-[6-(2-cyanophenyl)-3-pyridyl]-2-methyl-3-nitro-benzoate CAS Name: 4-[6-(2-cyanophenyl)-3-pyridinyl]-2-methyl-3-nitrobenzoic acid (1-oxopentylamino) ester IUPAC Name: (pentanoylamino) 4-[6-(2-cyanophenyl)pyridin-3-yl]-2-methyl-3-nitrobenzoate Traditional Name: 4-[6-(2-cyanophenyl)-3-pyridyl]-2-methyl-3-nitro-benzoic acid (valerylamino) ester Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NOC(=O)C1=C(C(=C(C=C1)C2=CN=C(C=C2)C3=CC=CC=C3C#N)[N+](=O)[O-])C

Isomeric SMILES

CCCCC(=O)NOC(=O)C1=C(C(=C(C=C1)C2=CN=C(C=C2)C3=CC=CC=C3C#N)[N+](=O)[O-])C

InChI

InChI=1S/C25H22N4O5/c1-3-4-9-23(30)28-34-25(31)19-11-12-21(24(16(19)2)29(32)33)18-10-13-22(27-15-18)20-8-6-5-7-17(20)14-26/h5-8,10-13,15H,3-4,9H2,1-2H3,(H,28,30)