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

Systemtic Name: methyl 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C14H12N4O5S MolecularWeight: 348.33388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C3CC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O5S/c1-23-13(20)9-4-8(5-10(6-9)18(21)22)11(19)15-14-17-16-12(24-14)7-2-3-7/h4-7H,2-3H2,1H3,(H,15,17,19)