dimethyl 4-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-6-methyl-2-(3-nitrophenyl)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 4-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-6-methyl-2-(3-nitrophenyl)benzene-1,3-dicarboxylate Openeye Name: dimethyl 4-[[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]amino]-6-methyl-2-(3-nitrophenyl)benzene-1,3-dicarboxylate CAS Name: 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-6-methyl-2-(3-nitrophenyl)benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-6-methyl-2-(3-nitrophenyl)benzene-1,3-dicarboxylate Traditional Name: 4-[[(1S)-2-keto-2-methoxy-1-methyl-ethyl]amino]-6-methyl-2-(3-nitrophenyl)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)NC(C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)N[C@@H](C)C(=O)OC

InChI

InChI=1S/C21H22N2O8/c1-11-9-15(22-12(2)19(24)29-3)18(21(26)31-5)17(16(11)20(25)30-4)13-7-6-8-14(10-13)23(27)28/h6-10,12,22H,1-5H3/t12-/m0/s1