N-(4-butan-2-ylphenyl)-2,4-dinitro-aniline

Systemtic Name: N-(4-butan-2-ylphenyl)-2,4-dinitro-aniline Openeye Name: 2,4-dinitro-N-(4-sec-butylphenyl)aniline CAS Name: N-(4-butan-2-ylphenyl)-2,4-dinitroaniline IUPAC Name: N-(4-butan-2-ylphenyl)-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-(4-sec-butylphenyl)amine Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c1-3-11(2)12-4-6-13(7-5-12)17-15-9-8-14(18(20)21)10-16(15)19(22)23/h4-11,17H,3H2,1-2H3