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2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]methylamino]-3-phenyl-propanoic acid

2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]methylamino]-3-phenyl-propanoic acid

Systemtic Name:2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]methylamino]-3-phenyl-propanoic acid
Openeye Name:2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methylamino]-3-phenyl-propanoic acid
CAS Name:2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methylamino]-3-phenylpropanoic acid
IUPAC Name:2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methylamino]-3-phenylpropanoic acid
Traditional Name:2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-6-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)CC(C(=O)O)NCC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3


Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NCC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3


InChI

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


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