[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanoate CAS Name: 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate Traditional Name: 3-[2-keto-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propionic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C18H16N4O7S MolecularWeight: 432.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCN2C(=O)OC(=N2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCN2C(=O)OC(=N2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O7S/c1-11-4-5-12(9-13(11)22(26)27)19-15(23)10-28-16(24)6-7-21-18(25)29-17(20-21)14-3-2-8-30-14/h2-5,8-9H,6-7,10H2,1H3,(H,19,23)