ethyl 3-(3-aminocarbonyl-2-azanyl-quinoxalin-1-ium-1-yl)-2-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(3-aminocarbonyl-2-azanyl-quinoxalin-1-ium-1-yl)-2-oxidanylidene-propanoate Openeye Name: ethyl 3-(2-amino-3-carbamoyl-quinoxalin-1-ium-1-yl)-2-oxo-propanoate CAS Name: 3-(2-amino-3-carbamoyl-1-quinoxalin-1-iumyl)-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(2-amino-3-carbamoylquinoxalin-1-ium-1-yl)-2-oxopropanoate Traditional Name: 3-(2-amino-3-carbamoyl-quinoxalin-1-ium-1-yl)-2-keto-propionic acid ethyl ester Formula: C14H15N4O4+ MolecularWeight: 303.2933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C[N+]1=C(C(=NC2=CC=CC=C21)C(=O)N)N

Isomeric SMILES

CCOC(=O)C(=O)C[N+]1=C(C(=NC2=CC=CC=C21)C(=O)N)N

InChI

InChI=1S/C14H14N4O4/c1-2-22-14(21)10(19)7-18-9-6-4-3-5-8(9)17-11(12(18)15)13(16)20/h3-6,15H,2,7H2,1H3,(H2,16,20)/p+1