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

Systemtic Name: ethyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O5S/c1-3-22-12(19)9-4-8(5-10(6-9)17(20)21)11(18)14-13-16-15-7(2)23-13/h4-6H,3H2,1-2H3,(H,14,16,18)