2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4-nitro-benzoic acid

Systemtic Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4-nitro-benzoic acid Openeye Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4-nitro-benzoic acid CAS Name: 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]-4-nitrobenzoic acid IUPAC Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4-nitrobenzoic acid Traditional Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4-nitro-benzoic acid Formula: C11H8N4O5S MolecularWeight: 308.27002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H8N4O5S/c1-5-13-14-11(21-5)12-9(16)8-4-6(15(19)20)2-3-7(8)10(17)18/h2-4H,1H3,(H,17,18)(H,12,14,16)