[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-nitrobenzoate

Systemtic Name: [(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-nitrobenzoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl] ester Formula: C18H17N3O6 MolecularWeight: 371.34408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6/c1-2-19-18(24)20-16(22)15(12-6-4-3-5-7-12)27-17(23)13-8-10-14(11-9-13)21(25)26/h3-11,15H,2H2,1H3,(H2,19,20,22,24)/t15-/m0/s1