(5-phenyl-1,2-oxazol-3-yl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C19H18N4O7S MolecularWeight: 446.43382

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=NOC(=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=NOC(=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O7S/c1-20-16-8-7-15(10-17(16)23(25)26)31(27,28)21-11-19(24)29-12-14-9-18(30-22-14)13-5-3-2-4-6-13/h2-10,20-21H,11-12H2,1H3