methyl 3-methyl-5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 3-methyl-5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 3-methyl-5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]furan-2-carboxylate CAS Name: 3-methyl-5-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]furan-2-carboxylate Traditional Name: 3-methyl-5-[[4-(4-nitrophenyl)piperazino]methyl]furan-2-carboxylic acid methyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H21N3O5/c1-13-11-16(26-17(13)18(22)25-2)12-19-7-9-20(10-8-19)14-3-5-15(6-4-14)21(23)24/h3-6,11H,7-10,12H2,1-2H3