ethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2,6-dimethyl-3-nitro-4-(2-phenylmethoxyphenyl)-2,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: ethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2,6-dimethyl-3-nitro-4-(2-phenylmethoxyphenyl)-2,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: ethyl 4-(2-benzyloxyphenyl)-3-(1,3-dioxoisoindolin-2-yl)-2,6-dimethyl-3-nitro-2,4-dihydro-1H-pyridine-5-carboxylate CAS Name: 3-(1,3-dioxo-2-isoindolyl)-2,6-dimethyl-3-nitro-4-(2-phenylmethoxyphenyl)-2,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-dioxoisoindol-2-yl)-2,6-dimethyl-3-nitro-4-(2-phenylmethoxyphenyl)-2,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: 4-(2-benzoxyphenyl)-2,6-dimethyl-3-nitro-3-phthalimido-2,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester Formula: C31H29N3O7 MolecularWeight: 555.57786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(C(C1C2=CC=CC=C2OCC3=CC=CC=C3)(N4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(C(C1C2=CC=CC=C2OCC3=CC=CC=C3)(N4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-])C)C

InChI

InChI=1S/C31H29N3O7/c1-4-40-30(37)26-19(2)32-20(3)31(34(38)39,33-28(35)22-14-8-9-15-23(22)29(33)36)27(26)24-16-10-11-17-25(24)41-18-21-12-6-5-7-13-21/h5-17,20,27,32H,4,18H2,1-3H3