methyl 2-[5-[(3-nitrophenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]ethanoate

Systemtic Name: methyl 2-[5-[(3-nitrophenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]ethanoate Openeye Name: methyl 2-[5-[(3-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate CAS Name: 2-[5-[[(3-nitrophenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[(3-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetate Traditional Name: 2-[5-[(3-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]acetic acid methyl ester Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O5S/c1-21-10(17)6-9-14-15-12(22-9)13-11(18)7-3-2-4-8(5-7)16(19)20/h2-5H,6H2,1H3,(H,13,15,18)