(6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2,4-dinitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2,4-dinitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2,4-dinitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2,4-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2,4-dinitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(3H-1,3-benzothiazol-2-ylidene)-2,4-dinitro-cyclohexa-2,4-dien-1-one Formula: C13H7N3O5S MolecularWeight: 317.27678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C(C=C(C3=O)[N+](=O)[O-])[N+](=O)[O-])S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\3/C=C(C=C(C3=O)[N+](=O)[O-])[N+](=O)[O-])/S2

InChI

InChI=1S/C13H7N3O5S/c17-12-8(5-7(15(18)19)6-10(12)16(20)21)13-14-9-3-1-2-4-11(9)22-13/h1-6,14H/b13-8+