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

Systemtic Name: [(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl] ester Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O6/c1-2-20-18(25)21-16(23)15(11-6-4-3-5-7-11)28-17(24)13-9-8-12(22(26)27)10-14(13)19/h3-10,15H,2H2,1H3,(H2,20,21,23,25)/t15-/m0/s1