N-butyl-N,3-dimethyl-2,4-dinitro-aniline

Systemtic Name: N-butyl-N,3-dimethyl-2,4-dinitro-aniline Openeye Name: N-butyl-N,3-dimethyl-2,4-dinitro-aniline CAS Name: N-butyl-N,3-dimethyl-2,4-dinitroaniline IUPAC Name: N-butyl-N,3-dimethyl-2,4-dinitroaniline Traditional Name: butyl-methyl-(3-methyl-2,4-dinitro-phenyl)amine Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4/c1-4-5-8-13(3)11-7-6-10(14(16)17)9(2)12(11)15(18)19/h6-7H,4-5,8H2,1-3H3