N-[5-chloranyl-1-(4-nitrophenyl)carbonyl-2,1-benzothiazol-3-ylidene]-4-nitro-benzamide

Systemtic Name: N-[5-chloranyl-1-(4-nitrophenyl)carbonyl-2,1-benzothiazol-3-ylidene]-4-nitro-benzamide Openeye Name: N-[5-chloro-1-(4-nitrobenzoyl)-2,1-benzothiazol-3-ylidene]-4-nitro-benzamide CAS Name: N-[5-chloro-1-[(4-nitrophenyl)-oxomethyl]-2,1-benzothiazol-3-ylidene]-4-nitrobenzamide IUPAC Name: N-[5-chloro-1-(4-nitrobenzoyl)-2,1-benzothiazol-3-ylidene]-4-nitrobenzamide Traditional Name: N-[5-chloro-1-(4-nitrobenzoyl)-2,1-benzothiazol-3-ylidene]-4-nitro-benzamide Formula: C21H11ClN4O6S MolecularWeight: 482.85324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N=C2C3=C(C=CC(=C3)Cl)N(S2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N=C2C3=C(C=CC(=C3)Cl)N(S2)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H11ClN4O6S/c22-14-5-10-18-17(11-14)20(23-19(27)12-1-6-15(7-2-12)25(29)30)33-24(18)21(28)13-3-8-16(9-4-13)26(31)32/h1-11H