ethyl (1S,6S)-6-(3-nitrophenyl)-2-oxidanylidene-4-[(E)-2-phenylethenyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,6S)-6-(3-nitrophenyl)-2-oxidanylidene-4-[(E)-2-phenylethenyl]cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(3-nitrophenyl)-2-oxo-4-[(E)-styryl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(3-nitrophenyl)-2-oxo-4-[(E)-2-phenylethenyl]-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(3-nitrophenyl)-2-oxo-4-[(E)-2-phenylethenyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-2-keto-6-(3-nitrophenyl)-4-[(E)-styryl]cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO5/c1-2-29-23(26)22-20(18-9-6-10-19(15-18)24(27)28)13-17(14-21(22)25)12-11-16-7-4-3-5-8-16/h3-12,14-15,20,22H,2,13H2,1H3/b12-11+/t20-,22+/m1/s1