6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNC=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c20-14-6-5-12(19(21)22)9-11(14)10-17-8-7-16-18-13-3-1-2-4-15(13)23-16/h1-6,9-10,17H,7-8H2