(1R,6S)-4-methyl-6-(4-nitrophenyl)-1-[(phenylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-4-methyl-6-(4-nitrophenyl)-1-[(phenylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-1-(benzylcarbamoyl)-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-4-methyl-6-(4-nitrophenyl)-1-[oxo-[(phenylmethyl)amino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-1-(benzylcarbamoyl)-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-1-(benzylcarbamoyl)-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylate Formula: C22H21N2O5- MolecularWeight: 393.41254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)NCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC[C@@]([C@@H](C1)C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)NCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H22N2O5/c1-15-11-12-22(21(26)27,20(25)23-14-16-5-3-2-4-6-16)19(13-15)17-7-9-18(10-8-17)24(28)29/h2-11,19H,12-14H2,1H3,(H,23,25)(H,26,27)/p-1/t19-,22+/m0/s1