[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-2-3-4-8-20(25)22-17-11-9-15(10-12-17)19(24)14-29-21(26)16-6-5-7-18(13-16)23(27)28/h5-7,9-13H,2-4,8,14H2,1H3,(H,22,25)