N-(1-bromoethyl)-4-methylsulfonyl-2,6-dinitro-N-propyl-aniline

Systemtic Name: N-(1-bromoethyl)-4-methylsulfonyl-2,6-dinitro-N-propyl-aniline Openeye Name: N-(1-bromoethyl)-4-methylsulfonyl-2,6-dinitro-N-propyl-aniline CAS Name: N-(1-bromoethyl)-4-methylsulfonyl-2,6-dinitro-N-propylaniline IUPAC Name: N-(1-bromoethyl)-4-methylsulfonyl-2,6-dinitro-N-propylaniline Traditional Name: 1-bromoethyl-(4-mesyl-2,6-dinitro-phenyl)-propyl-amine Formula: C12H16BrN3O6S MolecularWeight: 410.24094

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-])C(C)Br

Isomeric SMILES

CCCN(C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-])C(C)Br

InChI

InChI=1S/C12H16BrN3O6S/c1-4-5-14(8(2)13)12-10(15(17)18)6-9(23(3,21)22)7-11(12)16(19)20/h6-8H,4-5H2,1-3H3