heptyl 4-[(2,4-dinitrophenyl)amino]benzoate

Systemtic Name: heptyl 4-[(2,4-dinitrophenyl)amino]benzoate Openeye Name: heptyl 4-(2,4-dinitroanilino)benzoate CAS Name: 4-(2,4-dinitroanilino)benzoic acid heptyl ester IUPAC Name: heptyl 4-(2,4-dinitroanilino)benzoate Traditional Name: 4-(2,4-dinitroanilino)benzoic acid heptyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6/c1-2-3-4-5-6-13-29-20(24)15-7-9-16(10-8-15)21-18-12-11-17(22(25)26)14-19(18)23(27)28/h7-12,14,21H,2-6,13H2,1H3