4-[1-[(5-nitro-1,3-benzothiazol-2-yl)amino]ethylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[1-[(5-nitro-1,3-benzothiazol-2-yl)amino]ethylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[1-[(5-nitro-1,3-benzothiazol-2-yl)amino]ethylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[1-[(5-nitro-1,3-benzothiazol-2-yl)amino]ethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[1-[(5-nitro-1,3-benzothiazol-2-yl)amino]ethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[1-[(5-nitro-1,3-benzothiazol-2-yl)amino]ethylidene]cyclohexa-2,5-dien-1-one Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C=C1)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=C1C=CC(=O)C=C1)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O3S/c1-9(10-2-5-12(19)6-3-10)16-15-17-13-8-11(18(20)21)4-7-14(13)22-15/h2-8H,1H3,(H,16,17)