[4-[(2,4-dinitrophenyl)amino]phenyl] octanoate

Systemtic Name: [4-[(2,4-dinitrophenyl)amino]phenyl] octanoate Openeye Name: [4-(2,4-dinitroanilino)phenyl] octanoate CAS Name: octanoic acid [4-(2,4-dinitroanilino)phenyl] ester IUPAC Name: [4-(2,4-dinitroanilino)phenyl] octanoate Traditional Name: caprylic acid [4-(2,4-dinitroanilino)phenyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6/c1-2-3-4-5-6-7-20(24)29-17-11-8-15(9-12-17)21-18-13-10-16(22(25)26)14-19(18)23(27)28/h8-14,21H,2-7H2,1H3