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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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