methyl 2-[2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H26N2O7/c1-5-14(2)21(22(26)30-4)23-20(25)13-31-19-11-8-16(24(27)28)12-18(19)15-6-9-17(29-3)10-7-15/h6-12,14,21H,5,13H2,1-4H3,(H,23,25)