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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,4-dinitro-aniline Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,4-dinitro-aniline CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,4-dinitroaniline IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,4-dinitroaniline Traditional Name: 2-(1,3-benzothiazol-2-yl)ethyl-(2,4-dinitrophenyl)amine Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O4S/c20-18(21)10-5-6-11(13(9-10)19(22)23)16-8-7-15-17-12-3-1-2-4-14(12)24-15/h1-6,9,16H,7-8H2