4,6-dinitro-2-(phenylmethyl)-1,2-benzothiazol-3-one

Systemtic Name: 4,6-dinitro-2-(phenylmethyl)-1,2-benzothiazol-3-one Openeye Name: 2-benzyl-4,6-dinitro-1,2-benzothiazol-3-one CAS Name: 4,6-dinitro-2-(phenylmethyl)-1,2-benzothiazol-3-one IUPAC Name: 2-benzyl-4,6-dinitro-1,2-benzothiazol-3-one Traditional Name: 2-benzyl-4,6-dinitro-1,2-benzothiazol-3-one Formula: C14H9N3O5S MolecularWeight: 331.30336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3S2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3S2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O5S/c18-14-13-11(17(21)22)6-10(16(19)20)7-12(13)23-15(14)8-9-4-2-1-3-5-9/h1-7H,8H2