methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-prop-2-ynyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-prop-2-ynyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(3,5-dimethylisoxazol-4-yl)sulfonyl-prop-2-ynyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-prop-2-ynylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-prop-2-ynylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)sulfonyl-propargyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H15N3O8S MolecularWeight: 421.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N(CC#C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N(CC#C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H15N3O8S/c1-5-6-19(29(25,26)15-10(2)18-28-11(15)3)16(21)12-7-13(17(22)27-4)9-14(8-12)20(23)24/h1,7-9H,6H2,2-4H3