ethyl 4-[[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]-6-imidazo[4,5-b]pyridinyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[2-butyl-5-methyl-3-(3-nitrobenzyl)imidazo[4,5-b]pyridin-6-yl]amino]-4-keto-butyric acid ethyl ester Formula: C24H29N5O5 MolecularWeight: 467.51756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC(=C(N=C2N1CC3=CC(=CC=C3)[N+](=O)[O-])C)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCCCC1=NC2=CC(=C(N=C2N1CC3=CC(=CC=C3)[N+](=O)[O-])C)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C24H29N5O5/c1-4-6-10-21-26-20-14-19(27-22(30)11-12-23(31)34-5-2)16(3)25-24(20)28(21)15-17-8-7-9-18(13-17)29(32)33/h7-9,13-14H,4-6,10-12,15H2,1-3H3,(H,27,30)