3-methyl-2-[2-[4-[methyl-(3-nitrophenyl)carbonyl-amino]phenoxy]ethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-[4-[methyl-(3-nitrophenyl)carbonyl-amino]phenoxy]ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-[4-[methyl-(3-nitrobenzoyl)amino]phenoxy]acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-[4-[methyl-[(3-nitrophenyl)-oxomethyl]amino]phenoxy]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[4-[methyl-(3-nitrobenzoyl)amino]phenoxy]acetyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[2-[4-[methyl-(3-nitrobenzoyl)amino]phenoxy]acetyl]amino]butyric acid Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c1-13(2)19(21(27)28)22-18(25)12-31-17-9-7-15(8-10-17)23(3)20(26)14-5-4-6-16(11-14)24(29)30/h4-11,13,19H,12H2,1-3H3,(H,22,25)(H,27,28)