[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3,5-dinitrobenzoate

Systemtic Name: [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3,5-dinitrobenzoate Openeye Name: [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl] ester Formula: C12H9N5O7S MolecularWeight: 367.29416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N5O7S/c1-6-14-15-12(25-6)13-10(18)5-24-11(19)7-2-8(16(20)21)4-9(3-7)17(22)23/h2-4H,5H2,1H3,(H,13,15,18)