6-azanyl-4-(3-nitrophenyl)-2-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 6-azanyl-4-(3-nitrophenyl)-2-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 6-amino-4-(3-nitrophenyl)-2-(1-piperidyl)-3,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 6-amino-4-(3-nitrophenyl)-2-(1-piperidinyl)-3,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 6-amino-4-(3-nitrophenyl)-2-piperidin-1-yl-3,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 6-amino-4-(3-nitrophenyl)-2-piperidino-3,4-dihydropyridine-3,5-dicarboxylic acid Formula: C18H20N4O6 MolecularWeight: 388.3746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=C(C(C2C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)N

Isomeric SMILES

C1CCN(CC1)C2=NC(=C(C(C2C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)N

InChI

InChI=1S/C18H20N4O6/c19-15-13(17(23)24)12(10-5-4-6-11(9-10)22(27)28)14(18(25)26)16(20-15)21-7-2-1-3-8-21/h4-6,9,12,14H,1-3,7-8,19H2,(H,23,24)(H,25,26)