methyl 3-nitro-4-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]oxy-benzoate

Systemtic Name: methyl 3-nitro-4-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]oxy-benzoate Openeye Name: methyl 4-[(1R)-2-anilino-1-methyl-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-1-anilino-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1R)-2-anilino-2-keto-1-methyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6/c1-11(16(20)18-13-6-4-3-5-7-13)25-15-9-8-12(17(21)24-2)10-14(15)19(22)23/h3-11H,1-2H3,(H,18,20)/t11-/m1/s1