2-(2-azanylidene-1,3-thiazol-3-yl)-N-(2-methoxy-4-nitro-phenyl)ethanamide; ethanedioic acid

Systemtic Name: 2-(2-azanylidene-1,3-thiazol-3-yl)-N-(2-methoxy-4-nitro-phenyl)ethanamide; ethanedioic acid Openeye Name: 2-(2-iminothiazol-3-yl)-N-(2-methoxy-4-nitro-phenyl)acetamide; oxalic acid CAS Name: 2-(2-imino-3-thiazolyl)-N-(2-methoxy-4-nitrophenyl)acetamide; oxalic acid IUPAC Name: 2-(2-imino-1,3-thiazol-3-yl)-N-(2-methoxy-4-nitrophenyl)acetamide; oxalic acid Traditional Name: 2-(2-imino-4-thiazolin-3-yl)-N-(2-methoxy-4-nitro-phenyl)acetamide; oxalic acid Formula: C14H14N4O8S MolecularWeight: 398.34796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2C=CSC2=N.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2C=CSC2=N.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H12N4O4S.C2H2O4/c1-20-10-6-8(16(18)19)2-3-9(10)14-11(17)7-15-4-5-21-12(15)13;3-1(4)2(5)6/h2-6,13H,7H2,1H3,(H,14,17);(H,3,4)(H,5,6)