N-(1,3-dioxan-2-ylmethyl)-N-methyl-4-methylsulfonyl-2,6-dinitro-aniline

Systemtic Name: N-(1,3-dioxan-2-ylmethyl)-N-methyl-4-methylsulfonyl-2,6-dinitro-aniline Openeye Name: N-(1,3-dioxan-2-ylmethyl)-N-methyl-4-methylsulfonyl-2,6-dinitro-aniline CAS Name: N-(1,3-dioxan-2-ylmethyl)-N-methyl-4-methylsulfonyl-2,6-dinitroaniline IUPAC Name: N-(1,3-dioxan-2-ylmethyl)-N-methyl-4-methylsulfonyl-2,6-dinitroaniline Traditional Name: 1,3-dioxan-2-ylmethyl-(4-mesyl-2,6-dinitro-phenyl)-methyl-amine Formula: C13H17N3O8S MolecularWeight: 375.35438

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1OCCCO1)C2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(CC1OCCCO1)C2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O8S/c1-14(8-12-23-4-3-5-24-12)13-10(15(17)18)6-9(25(2,21)22)7-11(13)16(19)20/h6-7,12H,3-5,8H2,1-2H3