2-azanyl-6-methyl-4-(3-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylate hydrate

Systemtic Name: 2-azanyl-6-methyl-4-(3-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylate hydrate Openeye Name: 2-amino-5-[(E)-cinnamyl]oxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate CAS Name: 2-amino-6-methyl-4-(3-nitrophenyl)-5-[oxo-[(E)-3-phenylprop-2-enoxy]methyl]-1,4-dihydropyridine-3-carboxylate hydrate IUPAC Name: 2-amino-6-methyl-4-(3-nitrophenyl)-5-[(E)-3-phenylprop-2-enoxy]carbonyl-1,4-dihydropyridine-3-carboxylate hydrate Traditional Name: 2-amino-5-[(E)-cinnamyl]oxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrate Formula: C23H22N3O7- MolecularWeight: 452.43668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N)C(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC=CC3=CC=CC=C3.O

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O6.H2O/c1-14-18(23(29)32-12-6-9-15-7-3-2-4-8-15)19(20(22(27)28)21(24)25-14)16-10-5-11-17(13-16)26(30)31;/h2-11,13,19,25H,12,24H2,1H3,(H,27,28);1H2/p-1/b9-6+;