5-[2-(4-hydroxyphenyl)ethoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate

Systemtic Name: 5-[2-(4-hydroxyphenyl)ethoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate Openeye Name: 5-[2-(4-hydroxyphenyl)ethoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate CAS Name: 5-[2-(4-hydroxyphenyl)ethoxy-oxomethyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate IUPAC Name: 5-[2-(4-hydroxyphenyl)ethoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate Traditional Name: 5-[2-(4-hydroxyphenyl)ethoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate Formula: C23H23N2O8- MolecularWeight: 455.43732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)[O-].O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)[O-].O

InChI

InChI=1S/C23H22N2O7.H2O/c1-13-19(22(27)28)21(16-4-3-5-17(12-16)25(30)31)20(14(2)24-13)23(29)32-11-10-15-6-8-18(26)9-7-15;/h3-9,12,21,24,26H,10-11H2,1-2H3,(H,27,28);1H2/p-1