methyl 5-[[3-(1H-imidazol-5-yl)-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[3-(1H-imidazol-5-yl)-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[1-(1H-imidazol-5-ylmethyl)-2-[(4-nitrophenyl)methoxy]-2-oxo-ethyl]amino]-4-methyl-5-oxo-pentanoate CAS Name: 5-[[3-(1H-imidazol-5-yl)-1-[(4-nitrophenyl)methoxy]-1-oxopropan-2-yl]amino]-4-methyl-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[3-(1H-imidazol-5-yl)-1-[(4-nitrophenyl)methoxy]-1-oxopropan-2-yl]amino]-4-methyl-5-oxopentanoate Traditional Name: 5-[[1-(1H-imidazol-5-ylmethyl)-2-keto-2-(4-nitrobenzyl)oxy-ethyl]amino]-5-keto-4-methyl-valeric acid methyl ester Formula: C20H24N4O7 MolecularWeight: 432.42716

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C(=O)NC(CC1=CN=CN1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(CCC(=O)OC)C(=O)NC(CC1=CN=CN1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O7/c1-13(3-8-18(25)30-2)19(26)23-17(9-15-10-21-12-22-15)20(27)31-11-14-4-6-16(7-5-14)24(28)29/h4-7,10,12-13,17H,3,8-9,11H2,1-2H3,(H,21,22)(H,23,26)