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

Systemtic Name: N-[5-methyl-1-(3-nitrophenyl)carbonyl-2,1-benzothiazol-3-ylidene]-3-nitro-benzamide Openeye Name: N-[5-methyl-1-(3-nitrobenzoyl)-2,1-benzothiazol-3-ylidene]-3-nitro-benzamide CAS Name: N-[5-methyl-1-[(3-nitrophenyl)-oxomethyl]-2,1-benzothiazol-3-ylidene]-3-nitrobenzamide IUPAC Name: N-[5-methyl-1-(3-nitrobenzoyl)-2,1-benzothiazol-3-ylidene]-3-nitrobenzamide Traditional Name: N-[5-methyl-1-(3-nitrobenzoyl)-2,1-benzothiazol-3-ylidene]-3-nitro-benzamide Formula: C22H14N4O6S MolecularWeight: 462.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(SC2=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(SC2=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O6S/c1-13-8-9-19-18(10-13)21(23-20(27)14-4-2-6-16(11-14)25(29)30)33-24(19)22(28)15-5-3-7-17(12-15)26(31)32/h2-12H,1H3