(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C17H12ClN3O6S MolecularWeight: 421.81168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=CO2)COC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NC(=CO2)COC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O6S/c18-12-4-3-10(6-13(12)21(24)25)16(23)19-7-15(22)26-8-11-9-27-17(20-11)14-2-1-5-28-14/h1-6,9H,7-8H2,(H,19,23)