4-azido-6-nitro-2-phenyl-1,2-benzothiazol-3-one

Systemtic Name: 4-azido-6-nitro-2-phenyl-1,2-benzothiazol-3-one Openeye Name: 4-azido-6-nitro-2-phenyl-1,2-benzothiazol-3-one CAS Name: 4-azido-6-nitro-2-phenyl-1,2-benzothiazol-3-one IUPAC Name: 4-azido-6-nitro-2-phenyl-1,2-benzothiazol-3-one Traditional Name: 4-azido-6-nitro-2-phenyl-1,2-benzothiazol-3-one Formula: C13H7N5O3S MolecularWeight: 313.29138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(S2)C=C(C=C3N=[N+]=[N-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(S2)C=C(C=C3N=[N+]=[N-])[N+](=O)[O-]

InChI

InChI=1S/C13H7N5O3S/c14-16-15-10-6-9(18(20)21)7-11-12(10)13(19)17(22-11)8-4-2-1-3-5-8/h1-7H