dimethyl (1R,2S)-4-azanyl-6-methyl-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate

Systemtic Name: dimethyl (1R,2S)-4-azanyl-6-methyl-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: dimethyl (1R,2S)-4-amino-6-methyl-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: (1R,2S)-4-amino-6-methyl-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2S)-4-amino-6-methyl-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: (1R,2S)-4-amino-6-methyl-2-(2-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6/c1-9-8-11(18)15(17(21)25-3)14(13(9)16(20)24-2)10-6-4-5-7-12(10)19(22)23/h4-8,13-14H,18H2,1-3H3/t13-,14+/m0/s1