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

Systemtic Name: 2-nitro-N-[5-nitro-1-(2-nitrophenyl)carbonyl-2,1-benzothiazol-3-ylidene]benzamide Openeye Name: 2-nitro-N-[5-nitro-1-(2-nitrobenzoyl)-2,1-benzothiazol-3-ylidene]benzamide CAS Name: 2-nitro-N-[5-nitro-1-[(2-nitrophenyl)-oxomethyl]-2,1-benzothiazol-3-ylidene]benzamide IUPAC Name: 2-nitro-N-[5-nitro-1-(2-nitrobenzoyl)-2,1-benzothiazol-3-ylidene]benzamide Traditional Name: 2-nitro-N-[5-nitro-1-(2-nitrobenzoyl)-2,1-benzothiazol-3-ylidene]benzamide Formula: C21H11N5O8S MolecularWeight: 493.40574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H11N5O8S/c27-19(13-5-1-3-7-17(13)25(31)32)22-20-15-11-12(24(29)30)9-10-16(15)23(35-20)21(28)14-6-2-4-8-18(14)26(33)34/h1-11H