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

Systemtic Name: (2-phenyl-1,3-oxazol-4-yl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: (2-phenyloxazol-4-yl)methyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid (2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-oxazol-4-yl)methyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid (2-phenyloxazol-4-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=COC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=COC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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