[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7/c1-3-21-20(26)22-18(24)17(13-8-6-5-7-9-13)30-19(25)14-10-11-16(29-4-2)15(12-14)23(27)28/h5-12,17H,3-4H2,1-2H3,(H2,21,22,24,26)/t17-/m0/s1