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

Systemtic Name: 6-[[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O3S/c1-13-2-8-18-20(10-13)28-21(23-18)14-3-5-16(6-4-14)22-12-15-11-17(24(26)27)7-9-19(15)25/h2-12,22H,1H3