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

Systemtic Name: octyl 2-[(2,4-dinitrophenyl)amino]benzoate Openeye Name: octyl 2-(2,4-dinitroanilino)benzoate CAS Name: 2-(2,4-dinitroanilino)benzoic acid octyl ester IUPAC Name: octyl 2-(2,4-dinitroanilino)benzoate Traditional Name: 2-(2,4-dinitroanilino)benzoic acid octyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c1-2-3-4-5-6-9-14-30-21(25)17-10-7-8-11-18(17)22-19-13-12-16(23(26)27)15-20(19)24(28)29/h7-8,10-13,15,22H,2-6,9,14H2,1H3