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

Systemtic Name: 6-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylidene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylidene]-2-methoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylidene]-2-methoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC=C3C=C(C=C(C3=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC=C3C=C(C=C(C3=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N3O4S/c1-9-4-10(2)15-14(5-9)25-17(19-15)18-8-11-6-12(20(22)23)7-13(24-3)16(11)21/h4-8H,1-3H3,(H,18,19)