4-[(2,4-dinitrophenyl)amino]butyl 3,5-dinitrobenzoate

Systemtic Name: 4-[(2,4-dinitrophenyl)amino]butyl 3,5-dinitrobenzoate Openeye Name: 4-(2,4-dinitroanilino)butyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 4-(2,4-dinitroanilino)butyl ester IUPAC Name: 4-(2,4-dinitroanilino)butyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 4-(2,4-dinitroanilino)butyl ester Formula: C17H15N5O10 MolecularWeight: 449.3285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O10/c23-17(11-7-13(20(26)27)9-14(8-11)21(28)29)32-6-2-1-5-18-15-4-3-12(19(24)25)10-16(15)22(30)31/h3-4,7-10,18H,1-2,5-6H2