dimethyl (1S,2R)-4-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-6-methyl-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate

Systemtic Name: dimethyl (1S,2R)-4-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-6-methyl-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: dimethyl (1S,2R)-4-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]amino]-6-methyl-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: (1S,2R)-4-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-6-methyl-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,2R)-4-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-6-methyl-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: (1S,2R)-4-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-methoxy-ethyl]amino]-6-methyl-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester Formula: C27H28N2O9 MolecularWeight: 524.51922

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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(CC3=CC=C(C=C3)O)C(=O)OC

Isomeric SMILES

CC1=CC(=C([C@H]([C@@H]1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)N[C@@H](CC3=CC=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C27H28N2O9/c1-15-12-20(28-21(25(31)36-2)13-16-8-10-19(30)11-9-16)24(27(33)38-4)23(22(15)26(32)37-3)17-6-5-7-18(14-17)29(34)35/h5-12,14,21-23,28,30H,13H2,1-4H3/t21-,22+,23-/m0/s1