methyl 4-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-[methyl-[(1R)-1-phenylethyl]amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N(C)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6/c1-13(14-7-5-4-6-8-14)20(2)18(22)12-27-17-10-9-15(19(23)26-3)11-16(17)21(24)25/h4-11,13H,12H2,1-3H3/t13-/m1/s1