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

Systemtic Name: 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-3-nitro-benzoate Openeye Name: 2-[(4-methylthiazol-2-yl)carbamoyl]-3-nitro-benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)amino]-oxomethyl]-3-nitrobenzoate IUPAC Name: 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-3-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)carbamoyl]-3-nitro-benzoate Formula: C12H8N3O5S- MolecularWeight: 306.27402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H9N3O5S/c1-6-5-21-12(13-6)14-10(16)9-7(11(17)18)3-2-4-8(9)15(19)20/h2-5H,1H3,(H,17,18)(H,13,14,16)/p-1