N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]-4-nitro-aniline

Systemtic Name: N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]-4-nitro-aniline Openeye Name: N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]-4-nitro-aniline CAS Name: N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]-4-nitroaniline IUPAC Name: N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]-4-nitroaniline Traditional Name: [methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]-(4-nitrophenyl)amine Formula: C14H16N3O3PS MolecularWeight: 337.333901

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(C1=NC2=C(S1)CCCC2)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[P@](=O)(C1=NC2=C(S1)CCCC2)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N3O3PS/c1-21(20,14-15-12-4-2-3-5-13(12)22-14)16-10-6-8-11(9-7-10)17(18)19/h6-9H,2-5H2,1H3,(H,16,20)/t21-/m0/s1