(2-ethanoylphenyl) 3-nitro-4-(pentanoylamino)benzoate

Systemtic Name: (2-ethanoylphenyl) 3-nitro-4-(pentanoylamino)benzoate Openeye Name: (2-acetylphenyl) 3-nitro-4-(pentanoylamino)benzoate CAS Name: 3-nitro-4-(1-oxopentylamino)benzoic acid (2-acetylphenyl) ester IUPAC Name: (2-acetylphenyl) 3-nitro-4-(pentanoylamino)benzoate Traditional Name: 3-nitro-4-(valerylamino)benzoic acid (2-acetylphenyl) ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-3-4-9-19(24)21-16-11-10-14(12-17(16)22(26)27)20(25)28-18-8-6-5-7-15(18)13(2)23/h5-8,10-12H,3-4,9H2,1-2H3,(H,21,24)