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

Systemtic Name: methyl 3-nitro-5-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(5-nitrothiazol-2-yl)carbamoyl]benzoate CAS Name: 3-nitro-5-[[(5-nitro-2-thiazolyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(5-nitrothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C12H8N4O7S MolecularWeight: 352.27952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N4O7S/c1-23-11(18)7-2-6(3-8(4-7)15(19)20)10(17)14-12-13-5-9(24-12)16(21)22/h2-5H,1H3,(H,13,14,17)