6-[[[4-(1,3-benzothiazol-2-yl)phenyl]amino]methylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[4-(1,3-benzothiazol-2-yl)phenyl]amino]methylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylidene]-2,4-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Formula: C20H12N4O5S MolecularWeight: 420.39808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H12N4O5S/c25-19-13(9-15(23(26)27)10-17(19)24(28)29)11-21-14-7-5-12(6-8-14)20-22-16-3-1-2-4-18(16)30-20/h1-11,21H