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

Systemtic Name: 2-[8-(aminomethyl)-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]-3-phenyl-propanoic acid Openeye Name: 2-[8-(aminomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-3-phenyl-propanoic acid CAS Name: 2-[8-(aminomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-3-phenylpropanoic acid IUPAC Name: 2-[8-(aminomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-3-phenylpropanoic acid Traditional Name: 2-[8-(aminomethyl)-3-keto-6-nitro-2,4-dihydro-1H-quinoxalin-2-yl]-3-phenyl-propionic acid Formula: C18H18N4O5 MolecularWeight: 370.35932

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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-])CN)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5/c19-9-11-7-12(22(26)27)8-14-15(11)21-16(17(23)20-14)13(18(24)25)6-10-4-2-1-3-5-10/h1-5,7-8,13,16,21H,6,9,19H2,(H,20,23)(H,24,25)