4-nitro-2-(3-nitrophenyl)-1,3-benzothiazole

Systemtic Name: 4-nitro-2-(3-nitrophenyl)-1,3-benzothiazole Openeye Name: 4-nitro-2-(3-nitrophenyl)-1,3-benzothiazole CAS Name: 4-nitro-2-(3-nitrophenyl)-1,3-benzothiazole IUPAC Name: 4-nitro-2-(3-nitrophenyl)-1,3-benzothiazole Traditional Name: 4-nitro-2-(3-nitrophenyl)-1,3-benzothiazole Formula: C13H7N3O4S MolecularWeight: 301.27738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(C=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(C=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C13H7N3O4S/c17-15(18)9-4-1-3-8(7-9)13-14-12-10(16(19)20)5-2-6-11(12)21-13/h1-7H