(pentanoylamino) 4-[4-(2-cyanopyrrol-1-yl)phenyl]-2-methyl-3-nitro-benzoate

Systemtic Name: (pentanoylamino) 4-[4-(2-cyanopyrrol-1-yl)phenyl]-2-methyl-3-nitro-benzoate Openeye Name: (pentanoylamino) 4-[4-(2-cyanopyrrol-1-yl)phenyl]-2-methyl-3-nitro-benzoate CAS Name: 4-[4-(2-cyano-1-pyrrolyl)phenyl]-2-methyl-3-nitrobenzoic acid (1-oxopentylamino) ester IUPAC Name: (pentanoylamino) 4-[4-(2-cyanopyrrol-1-yl)phenyl]-2-methyl-3-nitrobenzoate Traditional Name: 4-[4-(2-cyanopyrrol-1-yl)phenyl]-2-methyl-3-nitro-benzoic acid (valerylamino) ester Formula: C24H22N4O5 MolecularWeight: 446.45528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NOC(=O)C1=C(C(=C(C=C1)C2=CC=C(C=C2)N3C=CC=C3C#N)[N+](=O)[O-])C

Isomeric SMILES

CCCCC(=O)NOC(=O)C1=C(C(=C(C=C1)C2=CC=C(C=C2)N3C=CC=C3C#N)[N+](=O)[O-])C

InChI

InChI=1S/C24H22N4O5/c1-3-4-7-22(29)26-33-24(30)20-12-13-21(23(16(20)2)28(31)32)17-8-10-18(11-9-17)27-14-5-6-19(27)15-25/h5-6,8-14H,3-4,7H2,1-2H3,(H,26,29)