methyl 3-nitro-5-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[5-(4-nitrophenyl)sulfonylthiazol-2-yl]carbamoyl]benzoate CAS Name: 3-nitro-5-[[[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate Traditional Name: 3-nitro-5-[(5-nosylthiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C18H12N4O9S2 MolecularWeight: 492.43928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O9S2/c1-31-17(24)11-6-10(7-13(8-11)22(27)28)16(23)20-18-19-9-15(32-18)33(29,30)14-4-2-12(3-5-14)21(25)26/h2-9H,1H3,(H,19,20,23)