N-butyl-4-methyl-2,6-dinitro-3-propan-2-yl-aniline

Systemtic Name: N-butyl-4-methyl-2,6-dinitro-3-propan-2-yl-aniline Openeye Name: N-butyl-3-isopropyl-4-methyl-2,6-dinitro-aniline CAS Name: N-butyl-4-methyl-2,6-dinitro-3-propan-2-ylaniline IUPAC Name: N-butyl-4-methyl-2,6-dinitro-3-propan-2-ylaniline Traditional Name: butyl-(3-isopropyl-4-methyl-2,6-dinitro-phenyl)amine Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C(=C1[N+](=O)[O-])C(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C(=C1[N+](=O)[O-])C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O4/c1-5-6-7-15-13-11(16(18)19)8-10(4)12(9(2)3)14(13)17(20)21/h8-9,15H,5-7H2,1-4H3