(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S/c1-17-12-5-4-10(7-13(12)19(21)22)16(20)23-9-11-8-14(24-18-11)15-3-2-6-25-15/h2-8,17H,9H2,1H3