[(2S)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [(2S)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [(1S)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(1S)-2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C15H12ClN3O5 MolecularWeight: 349.72588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H12ClN3O5/c1-9(14(20)18-11-6-4-8-17-13(11)16)24-15(21)10-5-2-3-7-12(10)19(22)23/h2-9H,1H3,(H,18,20)/t9-/m0/s1