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

Systemtic Name: N-(1-azidoethyl)-4-methylsulfonyl-2,6-dinitro-N-propyl-aniline Openeye Name: N-(1-azidoethyl)-4-methylsulfonyl-2,6-dinitro-N-propyl-aniline CAS Name: N-(1-azidoethyl)-4-methylsulfonyl-2,6-dinitro-N-propylaniline IUPAC Name: N-(1-azidoethyl)-4-methylsulfonyl-2,6-dinitro-N-propylaniline Traditional Name: 1-azidoethyl-(4-mesyl-2,6-dinitro-phenyl)-propyl-amine Formula: C12H16N6O6S MolecularWeight: 372.35704

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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)N=[N+]=[N-]

Isomeric SMILES

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

InChI

InChI=1S/C12H16N6O6S/c1-4-5-16(8(2)14-15-13)12-10(17(19)20)6-9(25(3,23)24)7-11(12)18(21)22/h6-8H,4-5H2,1-3H3