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

Systemtic Name: ethyl 2-[5-[(3-nitrophenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O5S/c1-2-22-11(18)7-10-15-16-13(23-10)14-12(19)8-4-3-5-9(6-8)17(20)21/h3-6H,2,7H2,1H3,(H,14,16,19)