2-[carboxy-[2-[3-(4-nitrophenoxy)imidazol-4-yl]ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-[3-(4-nitrophenoxy)imidazol-4-yl]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-[3-(4-nitrophenoxy)imidazol-4-yl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-[3-(4-nitrophenoxy)-4-imidazolyl]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-[3-(4-nitrophenoxy)imidazol-4-yl]ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-[3-(4-nitrophenoxy)imidazol-4-yl]ethyl]amino]-4-methyl-valeric acid Formula: C18H22N4O7 MolecularWeight: 406.38988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC1=CN=CN1OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC1=CN=CN1OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H22N4O7/c1-12(2)9-16(17(23)24)20(18(25)26)8-7-14-10-19-11-21(14)29-15-5-3-13(4-6-15)22(27)28/h3-6,10-12,16H,7-9H2,1-2H3,(H,23,24)(H,25,26)