2-methyl-4-(3-nitrophenyl)-6-pyrrolidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-methyl-4-(3-nitrophenyl)-6-pyrrolidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-methyl-4-(3-nitrophenyl)-6-pyrrolidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-methyl-4-(3-nitrophenyl)-6-(1-pyrrolidinyl)-3,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-methyl-4-(3-nitrophenyl)-6-pyrrolidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-pyrrolidino-3,4-dihydropyridine-3,5-dicarboxylic acid Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)N3CCCC3

Isomeric SMILES

CC1=NC(=C(C(C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)N3CCCC3

InChI

InChI=1S/C18H19N3O6/c1-10-13(17(22)23)14(11-5-4-6-12(9-11)21(26)27)15(18(24)25)16(19-10)20-7-2-3-8-20/h4-6,9,13-14H,2-3,7-8H2,1H3,(H,22,23)(H,24,25)