(2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (2-phenyloxazol-4-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-oxazol-4-yl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (2-phenyloxazol-4-yl)methyl ester Formula: C16H13N3O5 MolecularWeight: 327.29152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=COC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=COC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5/c1-18-8-13(19(21)22)7-14(18)16(20)24-10-12-9-23-15(17-12)11-5-3-2-4-6-11/h2-9H,10H2,1H3