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

Systemtic Name: 3-nitro-N-[2-[(3-nitrophenyl)carbonylamino]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-nitro-N-[2-[(3-nitrobenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-nitro-N-[2-[[(3-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-nitro-N-[2-[(3-nitrobenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3-nitro-N-[2-[(3-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(=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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