3-nitro-2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzoic acid

Systemtic Name: 3-nitro-2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzoic acid Openeye Name: 3-nitro-2-[(5-nitrothiazol-2-yl)carbamoyl]benzoic acid CAS Name: 3-nitro-2-[[(5-nitro-2-thiazolyl)amino]-oxomethyl]benzoic acid IUPAC Name: 3-nitro-2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzoic acid Traditional Name: 3-nitro-2-[(5-nitrothiazol-2-yl)carbamoyl]benzoic acid Formula: C11H6N4O7S MolecularWeight: 338.25294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6N4O7S/c16-9(13-11-12-4-7(23-11)15(21)22)8-5(10(17)18)2-1-3-6(8)14(19)20/h1-4H,(H,17,18)(H,12,13,16)