ethyl 2-ethyl-6,7,7-trimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1,4-dihydropyrrolo[3,4-b]pyridine-3-carboxylate

Systemtic Name: ethyl 2-ethyl-6,7,7-trimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1,4-dihydropyrrolo[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 2-ethyl-6,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4-dihydropyrrolo[3,4-b]pyridine-3-carboxylate CAS Name: 2-ethyl-6,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4-dihydropyrrolo[3,4-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-6,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4-dihydropyrrolo[3,4-b]pyridine-3-carboxylate Traditional Name: 2-ethyl-5-keto-6,7,7-trimethyl-4-(3-nitrophenyl)-1,4-dihydropyrrolo[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C2=C(N1)C(N(C2=O)C)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=C(C(C2=C(N1)C(N(C2=O)C)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C21H25N3O5/c1-6-14-16(20(26)29-7-2)15(12-9-8-10-13(11-12)24(27)28)17-18(22-14)21(3,4)23(5)19(17)25/h8-11,15,22H,6-7H2,1-5H3