3-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-3-phenyl-propanoic acid Openeye Name: 3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-phenyl-propanoic acid CAS Name: 3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-phenylpropanoic acid IUPAC Name: 3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-phenylpropanoic acid Traditional Name: 3-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-3-phenyl-propionic acid Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O6/c23-15(24)8-13(10-4-2-1-3-5-10)19-9-11-6-12(22(27)28)7-14-16(11)21-18(26)17(25)20-14/h1-7,13,19H,8-9H2,(H,20,25)(H,21,26)(H,23,24)