(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6S/c22-17(26-11-13-10-15(27-20-13)16-2-1-9-28-16)7-8-19-18(23)12-3-5-14(6-4-12)21(24)25/h1-6,9-10H,7-8,11H2,(H,19,23)