4-nitro-N-[2-[(4-nitrophenyl)carbonylamino]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-nitro-N-[2-[(4-nitrophenyl)carbonylamino]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-nitro-N-[2-[(4-nitrobenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-nitro-N-[2-[[(4-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-nitro-N-[2-[(4-nitrobenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-nitro-N-[2-[(4-nitrobenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide Formula: C21H13N5O6S MolecularWeight: 463.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O6S/c27-19(12-1-6-15(7-2-12)25(29)30)22-14-5-10-17-18(11-14)33-21(23-17)24-20(28)13-3-8-16(9-4-13)26(31)32/h1-11H,(H,22,27)(H,23,24,28)