3-(dimethylaminomethyl)-4,5-dinitro-2-pentan-3-yl-aniline

Systemtic Name: 3-(dimethylaminomethyl)-4,5-dinitro-2-pentan-3-yl-aniline Openeye Name: 3-(dimethylaminomethyl)-2-(1-ethylpropyl)-4,5-dinitro-aniline CAS Name: 3-(dimethylaminomethyl)-4,5-dinitro-2-pentan-3-ylaniline IUPAC Name: 3-(dimethylaminomethyl)-4,5-dinitro-2-pentan-3-ylaniline Traditional Name: [3-amino-2-(1-ethylpropyl)-5,6-dinitro-benzyl]-dimethyl-amine Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C(C(=C(C=C1N)[N+](=O)[O-])[N+](=O)[O-])CN(C)C

Isomeric SMILES

CCC(CC)C1=C(C(=C(C=C1N)[N+](=O)[O-])[N+](=O)[O-])CN(C)C

InChI

InChI=1S/C14H22N4O4/c1-5-9(6-2)13-10(8-16(3)4)14(18(21)22)12(17(19)20)7-11(13)15/h7,9H,5-6,8,15H2,1-4H3