2-[(2-hydroxyethylamino)methyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-[(2-hydroxyethylamino)methyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-[(2-hydroxyethylamino)methyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-[(2-hydroxyethylamino)methyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-[(2-hydroxyethylamino)methyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-[(2-hydroxyethylamino)methyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H19N3O7 MolecularWeight: 377.34866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O7/c1-9-13(16(22)23)14(10-4-2-3-5-12(10)20(26)27)15(17(24)25)11(19-9)8-18-6-7-21/h2-5,14,18-19,21H,6-8H2,1H3,(H,22,23)(H,24,25)