ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-[(3,5-dimethylisoxazol-4-yl)methyl]-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)methyl]-2,5-dimethyl-4-(4-nitrophenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylate Traditional Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-2,5-dimethyl-4-(4-nitrophenyl)pyrrole-3-carboxylic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=C(ON=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=C(ON=C3C)C)C

InChI

InChI=1S/C21H23N3O5/c1-6-28-21(25)20-14(4)23(11-18-12(2)22-29-15(18)5)13(3)19(20)16-7-9-17(10-8-16)24(26)27/h7-10H,6,11H2,1-5H3