methyl 4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethoxy]benzoate CAS Name: 4-[2-[[3-(4-methylphenyl)-5-isoxazolyl]amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7/c1-12-3-5-13(6-4-12)15-10-19(30-22-15)21-18(24)11-29-17-8-7-14(20(25)28-2)9-16(17)23(26)27/h3-10H,11H2,1-2H3,(H,21,24)