[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 2-(4-methylsulfonyl-2-nitro-anilino)acetate CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methylsulfonyl-2-nitroanilino)acetate Traditional Name: 2-(4-mesyl-2-nitro-anilino)acetic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C17H20N4O8S MolecularWeight: 440.4277

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O8S/c1-4-14(17(23)19-15-7-10(2)29-20-15)28-16(22)9-18-12-6-5-11(30(3,26)27)8-13(12)21(24)25/h5-8,14,18H,4,9H2,1-3H3,(H,19,20,23)