N-(4-butoxyphenyl)-2,4-dinitro-aniline

Systemtic Name: N-(4-butoxyphenyl)-2,4-dinitro-aniline Openeye Name: N-(4-butoxyphenyl)-2,4-dinitro-aniline CAS Name: N-(4-butoxyphenyl)-2,4-dinitroaniline IUPAC Name: N-(4-butoxyphenyl)-2,4-dinitroaniline Traditional Name: (4-butoxyphenyl)-(2,4-dinitrophenyl)amine Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-2-3-10-24-14-7-4-12(5-8-14)17-15-9-6-13(18(20)21)11-16(15)19(22)23/h4-9,11,17H,2-3,10H2,1H3