phenyl (2S)-6-nitro-2-[(E)-3-phenylprop-2-enyl]-2H-quinoline-1-carboxylate

Systemtic Name: phenyl (2S)-6-nitro-2-[(E)-3-phenylprop-2-enyl]-2H-quinoline-1-carboxylate Openeye Name: phenyl (2S)-2-[(E)-cinnamyl]-6-nitro-2H-quinoline-1-carboxylate CAS Name: (2S)-6-nitro-2-[(E)-3-phenylprop-2-enyl]-2H-quinoline-1-carboxylic acid phenyl ester IUPAC Name: phenyl (2S)-6-nitro-2-[(E)-3-phenylprop-2-enyl]-2H-quinoline-1-carboxylate Traditional Name: (2S)-2-[(E)-cinnamyl]-6-nitro-2H-quinoline-1-carboxylic acid phenyl ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCC2C=CC3=C(N2C(=O)OC4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C[C@H]2C=CC3=C(N2C(=O)OC4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H20N2O4/c28-25(31-23-12-5-2-6-13-23)26-21(11-7-10-19-8-3-1-4-9-19)15-14-20-18-22(27(29)30)16-17-24(20)26/h1-10,12-18,21H,11H2/b10-7+/t21-/m0/s1