N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-1,3-benzothiazol-2-ylmethyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-1,3-benzothiazol-2-ylmethyleneamino]-(2,4-dinitrophenyl)amine Formula: C14H9N5O4S MolecularWeight: 343.31736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O4S/c20-18(21)9-5-6-10(12(7-9)19(22)23)17-15-8-14-16-11-3-1-2-4-13(11)24-14/h1-8,17H/b15-8+