(4S)-2,6-dimethyl-5-(methylcarbamoyl)-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: (4S)-2,6-dimethyl-5-(methylcarbamoyl)-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: (4S)-2,6-dimethyl-5-(methylcarbamoyl)-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: (4S)-2,6-dimethyl-5-(methylcarbamoyl)-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: (4S)-2,6-dimethyl-5-(methylcarbamoyl)-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: (4S)-2,6-dimethyl-5-(methylcarbamoyl)-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)C)C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC

InChI

InChI=1S/C16H17N3O5/c1-8-12(15(20)17-3)14(13(16(21)22)9(2)18-8)10-4-6-11(7-5-10)19(23)24/h4-7,14,18H,1-3H3,(H,17,20)(H,21,22)/t14-/m0/s1