2-[8-[(1H-imidazol-5-ylmethylamino)methyl]-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[8-[(1H-imidazol-5-ylmethylamino)methyl]-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]-3-phenyl-propanoic acid Openeye Name: 2-[8-[(1H-imidazol-5-ylmethylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-3-phenyl-propanoic acid CAS Name: 2-[8-[(1H-imidazol-5-ylmethylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-3-phenylpropanoic acid IUPAC Name: 2-[8-[(1H-imidazol-5-ylmethylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-3-phenylpropanoic acid Traditional Name: 2-[8-[(1H-imidazol-5-ylmethylamino)methyl]-3-keto-6-nitro-2,4-dihydro-1H-quinoxalin-2-yl]-3-phenyl-propionic acid Formula: C22H22N6O5 MolecularWeight: 450.44728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2C(=O)NC3=C(N2)C(=CC(=C3)[N+](=O)[O-])CNCC4=CN=CN4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C2C(=O)NC3=C(N2)C(=CC(=C3)[N+](=O)[O-])CNCC4=CN=CN4)C(=O)O

InChI

InChI=1S/C22H22N6O5/c29-21-20(17(22(30)31)6-13-4-2-1-3-5-13)27-19-14(9-23-10-15-11-24-12-25-15)7-16(28(32)33)8-18(19)26-21/h1-5,7-8,11-12,17,20,23,27H,6,9-10H2,(H,24,25)(H,26,29)(H,30,31)