N-(3-butoxyphenyl)-2,4-dinitro-aniline

Systemtic Name: N-(3-butoxyphenyl)-2,4-dinitro-aniline Openeye Name: N-(3-butoxyphenyl)-2,4-dinitro-aniline CAS Name: N-(3-butoxyphenyl)-2,4-dinitroaniline IUPAC Name: N-(3-butoxyphenyl)-2,4-dinitroaniline Traditional Name: (3-butoxyphenyl)-(2,4-dinitrophenyl)amine Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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