1,3-dinitro-N-pentan-3-yl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

Systemtic Name: 1,3-dinitro-N-pentan-3-yl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine Openeye Name: N-(1-ethylpropyl)-1,3-dinitro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine CAS Name: 1,3-dinitro-N-pentan-3-yl-5-(trifluoromethyl)-1-cyclohexa-2,4-dienamine IUPAC Name: 1,3-dinitro-N-pentan-3-yl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine Traditional Name: [1,3-dinitro-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-(1-ethylpropyl)amine Formula: C12H16F3N3O4 MolecularWeight: 323.26835

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1(CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1(CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H16F3N3O4/c1-3-9(4-2)16-11(18(21)22)6-8(12(13,14)15)5-10(7-11)17(19)20/h5,7,9,16H,3-4,6H2,1-2H3