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

Systemtic Name: methyl 4-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]butanoate Openeye Name: methyl 4-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]butanoate CAS Name: 4-[[2-(3-methyl-4-nitrophenoxy)-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]butanoate Traditional Name: 4-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]butyric acid methyl ester Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NCCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NCCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6/c1-10-8-11(5-6-12(10)16(19)20)22-9-13(17)15-7-3-4-14(18)21-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,17)