(4S)-3-ethanoyl-2,6-dimethyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carboxylic acid

Systemtic Name: (4S)-3-ethanoyl-2,6-dimethyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carboxylic acid Openeye Name: (4S)-3-acetyl-2,6-dimethyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carboxylic acid CAS Name: (4S)-3-acetyl-2,6-dimethyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carboxylic acid IUPAC Name: (4S)-3-acetyl-2,6-dimethyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carboxylic acid Traditional Name: (4S)-3-acetyl-2,6-dimethyl-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carboxylic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

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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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c1-8-13(10(3)19)15(14(16(20)21)9(2)17-8)11-4-6-12(7-5-11)18(22)23/h4-7,13,15H,1-3H3,(H,20,21)/t13?,15-/m1/s1