[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 2-[(3-methylisoxazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-5-isoxazolyl)methylthio]benzoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methylisoxazol-5-yl)methylthio]benzoic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H19N3O7S/c1-13-9-15(31-23-13)12-32-19-6-4-3-5-16(19)21(26)30-11-20(25)22-17-8-7-14(24(27)28)10-18(17)29-2/h3-10H,11-12H2,1-2H3,(H,22,25)