[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C17H16ClN3O5 MolecularWeight: 377.77904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O5/c1-10(11-2-4-12(18)5-3-11)20-16(22)9-26-17(23)14-7-6-13(21(24)25)8-15(14)19/h2-8,10H,9,19H2,1H3,(H,20,22)/t10-/m1/s1