[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-nitroanilino)-4-oxo-butanoate CAS Name: 4-(4-nitroanilino)-4-oxobutanoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-nitroanilino)butyric acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-14(15-5-3-2-4-6-15)21-19(25)13-29-20(26)12-11-18(24)22-16-7-9-17(10-8-16)23(27)28/h2-10,14H,11-13H2,1H3,(H,21,25)(H,22,24)/t14-/m1/s1