2-ethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrate

Systemtic Name: 2-ethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrate Openeye Name: 2-ethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrate CAS Name: 2-ethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrate IUPAC Name: 2-ethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrate Traditional Name: 2-ethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrate Formula: C16H16N2O7-2 MolecularWeight: 348.30744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)C)C(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-].O

Isomeric SMILES

CCC1=C(C(C(=C(N1)C)C(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-].O

InChI

InChI=1S/C16H16N2O6.H2O/c1-3-11-14(16(21)22)13(12(15(19)20)8(2)17-11)9-5-4-6-10(7-9)18(23)24;/h4-7,13,17H,3H2,1-2H3,(H,19,20)(H,21,22);1H2/p-2