4-[2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)-3-oxidanylidene-propylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)-3-oxidanylidene-propylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)-3-oxo-propylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)-3-oxopropylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)-3-oxopropylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-3-(3-nitrophenyl)propylidene]cyclohexa-2,5-dien-1-one Formula: C22H14N2O4S MolecularWeight: 402.42256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C=C3C=CC(=O)C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C=C3C=CC(=O)C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])S2

InChI

InChI=1S/C22H14N2O4S/c25-17-10-8-14(9-11-17)12-18(22-23-19-6-1-2-7-20(19)29-22)21(26)15-4-3-5-16(13-15)24(27)28/h1-13,23H