(phenylmethyl) (4S)-3-ethanoyl-2,6-dimethyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carboxylate

Systemtic Name: (phenylmethyl) (4S)-3-ethanoyl-2,6-dimethyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carboxylate Openeye Name: benzyl (4S)-3-acetyl-2,6-dimethyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carboxylate CAS Name: (4S)-3-acetyl-2,6-dimethyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-3-acetyl-2,6-dimethyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carboxylate Traditional Name: (4S)-3-acetyl-2,6-dimethyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carboxylic acid benzyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C23H22N2O5/c1-14-20(16(3)26)22(18-9-11-19(12-10-18)25(28)29)21(15(2)24-14)23(27)30-13-17-7-5-4-6-8-17/h4-12,20,22H,13H2,1-3H3/t20?,22-/m1/s1