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

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (5-phenylisoxazol-3-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=NOC(=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=NOC(=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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