methyl (1S,6R)-6-methyl-4-[(4-nitrophenyl)methylamino]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,6R)-6-methyl-4-[(4-nitrophenyl)methylamino]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,6R)-6-methyl-4-[(4-nitrophenyl)methylamino]-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-methyl-4-[(4-nitrophenyl)methylamino]-2-oxo-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,6R)-6-methyl-4-[(4-nitrophenyl)methylamino]-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-2-keto-6-methyl-4-[(4-nitrobenzyl)amino]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)OC)NCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CC(=CC(=O)[C@H]1C(=O)OC)NCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5/c1-10-7-12(8-14(19)15(10)16(20)23-2)17-9-11-3-5-13(6-4-11)18(21)22/h3-6,8,10,15,17H,7,9H2,1-2H3/t10-,15+/m1/s1