3-[1-(carboxymethyl)-3-chloranyl-6-oxidanylidene-5-(propan-2-ylamino)pyrazin-2-yl]benzoic acid

Systemtic Name: 3-[1-(carboxymethyl)-3-chloranyl-6-oxidanylidene-5-(propan-2-ylamino)pyrazin-2-yl]benzoic acid Openeye Name: 3-[1-(carboxymethyl)-3-chloro-5-(isopropylamino)-6-oxo-pyrazin-2-yl]benzoic acid CAS Name: 3-[1-(carboxymethyl)-3-chloro-6-oxo-5-(propan-2-ylamino)-2-pyrazinyl]benzoic acid IUPAC Name: 3-[1-(carboxymethyl)-3-chloro-6-oxo-5-(propan-2-ylamino)pyrazin-2-yl]benzoic acid Traditional Name: 3-[1-(carboxymethyl)-3-chloro-5-(isopropylamino)-6-keto-pyrazin-2-yl]benzoic acid Formula: C16H16ClN3O5 MolecularWeight: 365.76834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=C(N(C1=O)CC(=O)O)C2=CC(=CC=C2)C(=O)O)Cl

Isomeric SMILES

CC(C)NC1=NC(=C(N(C1=O)CC(=O)O)C2=CC(=CC=C2)C(=O)O)Cl

InChI

InChI=1S/C16H16ClN3O5/c1-8(2)18-14-15(23)20(7-11(21)22)12(13(17)19-14)9-4-3-5-10(6-9)16(24)25/h3-6,8H,7H2,1-2H3,(H,18,19)(H,21,22)(H,24,25)