[(3R)-3-[(4-methylphenyl)amino]-3-phenyl-propyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [(3R)-3-[(4-methylphenyl)amino]-3-phenyl-propyl] 5-nitrofuran-2-carboxylate Openeye Name: [(3R)-3-(4-methylanilino)-3-phenyl-propyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [(3R)-3-(4-methylanilino)-3-phenylpropyl] ester IUPAC Name: [(3R)-3-(4-methylanilino)-3-phenylpropyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [(3R)-3-phenyl-3-(p-toluidino)propyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(CCOC(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N[C@H](CCOC(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5/c1-15-7-9-17(10-8-15)22-18(16-5-3-2-4-6-16)13-14-27-21(24)19-11-12-20(28-19)23(25)26/h2-12,18,22H,13-14H2,1H3/t18-/m1/s1