[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxo-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [2-keto-2-[methyl-[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C)C(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6/c1-15(16-6-4-3-5-7-16)23(2)21(25)14-29-22(26)20-13-12-19(30-20)17-8-10-18(11-9-17)24(27)28/h3-13,15H,14H2,1-2H3/t15-/m1/s1