2-[(E)-2-(4-methyl-3-nitro-phenyl)ethenyl]-5-nitro-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(4-methyl-3-nitro-phenyl)ethenyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(4-methyl-3-nitro-phenyl)vinyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(4-methyl-3-nitro-phenyl)vinyl]-5-nitro-1,3-benzothiazole Formula: C16H11N3O4S MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O4S/c1-10-2-3-11(8-14(10)19(22)23)4-7-16-17-13-9-12(18(20)21)5-6-15(13)24-16/h2-9H,1H3/b7-4+