[(2R)-3-(4-azanyl-3-methyl-5-nitro-phenyl)-1-methoxy-1-oxidanylidene-propan-2-yl] 4-chloranylbenzoate

Systemtic Name: [(2R)-3-(4-azanyl-3-methyl-5-nitro-phenyl)-1-methoxy-1-oxidanylidene-propan-2-yl] 4-chloranylbenzoate Openeye Name: [(1R)-1-[(4-amino-3-methyl-5-nitro-phenyl)methyl]-2-methoxy-2-oxo-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2R)-3-(4-amino-3-methyl-5-nitrophenyl)-1-methoxy-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(4-amino-3-methyl-5-nitrophenyl)-1-methoxy-1-oxopropan-2-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1R)-1-(4-amino-3-methyl-5-nitro-benzyl)-2-keto-2-methoxy-ethyl] ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(C(=O)OC)OC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-])N

Isomeric SMILES

CC1=C(C(=CC(=C1)C[C@H](C(=O)OC)OC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C18H17ClN2O6/c1-10-7-11(8-14(16(10)20)21(24)25)9-15(18(23)26-2)27-17(22)12-3-5-13(19)6-4-12/h3-8,15H,9,20H2,1-2H3/t15-/m1/s1