2-[2-(3-aminophenyl)-3-chloranyl-5-(methylamino)-6-oxidanylidene-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(3-aminophenyl)-3-chloranyl-5-(methylamino)-6-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[2-(3-aminophenyl)-3-chloro-5-(methylamino)-6-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[2-(3-aminophenyl)-3-chloro-5-(methylamino)-6-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[2-(3-aminophenyl)-3-chloro-5-(methylamino)-6-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[2-(3-aminophenyl)-3-chloro-6-keto-5-(methylamino)pyrazin-1-yl]acetic acid Formula: C13H13ClN4O3 MolecularWeight: 308.72032

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=C(N(C1=O)CC(=O)O)C2=CC(=CC=C2)N)Cl

Isomeric SMILES

CNC1=NC(=C(N(C1=O)CC(=O)O)C2=CC(=CC=C2)N)Cl

InChI

InChI=1S/C13H13ClN4O3/c1-16-12-13(21)18(6-9(19)20)10(11(14)17-12)7-3-2-4-8(15)5-7/h2-5H,6,15H2,1H3,(H,16,17)(H,19,20)