[2-oxidanylidene-2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]amino]ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]amino]ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-oxo-2-[2-[oxo-[[(1R)-1-phenylethyl]amino]methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-keto-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] ester Formula: C24H22N4O6 MolecularWeight: 462.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O6/c1-15(16-7-3-2-4-8-16)26-23(30)18-9-5-6-10-20(18)27-22(29)14-34-24(31)17-11-12-19(25)21(13-17)28(32)33/h2-13,15H,14,25H2,1H3,(H,26,30)(H,27,29)/t15-/m1/s1