N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2,4-dinitro-aniline

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2,4-dinitro-aniline Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2,4-dinitro-aniline CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2,4-dinitroaniline IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2,4-dinitroaniline Traditional Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-(2,4-dinitrophenyl)-methyl-amine Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c1-10(16-17-12-5-3-4-6-15(12)25-16)18(2)13-8-7-11(19(21)22)9-14(13)20(23)24/h3-10H,1-2H3/t10-/m1/s1