3-(bromomethyl)-2,6-dinitro-N-pentan-3-yl-4-propan-2-yl-aniline

Systemtic Name: 3-(bromomethyl)-2,6-dinitro-N-pentan-3-yl-4-propan-2-yl-aniline Openeye Name: 3-(bromomethyl)-N-(1-ethylpropyl)-4-isopropyl-2,6-dinitro-aniline CAS Name: 3-(bromomethyl)-2,6-dinitro-N-pentan-3-yl-4-propan-2-ylaniline IUPAC Name: 3-(bromomethyl)-2,6-dinitro-N-pentan-3-yl-4-propan-2-ylaniline Traditional Name: [3-(bromomethyl)-4-isopropyl-2,6-dinitro-phenyl]-(1-ethylpropyl)amine Formula: C15H22BrN3O4 MolecularWeight: 388.25688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BrN3O4/c1-5-10(6-2)17-14-13(18(20)21)7-11(9(3)4)12(8-16)15(14)19(22)23/h7,9-10,17H,5-6,8H2,1-4H3