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

Systemtic Name: 2-[3-chloranyl-2-(3-nitrophenyl)-6-oxidanylidene-5-(propan-2-ylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-chloro-5-(isopropylamino)-2-(3-nitrophenyl)-6-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[3-chloro-2-(3-nitrophenyl)-6-oxo-5-(propan-2-ylamino)-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-chloro-2-(3-nitrophenyl)-6-oxo-5-(propan-2-ylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-(isopropylamino)-2-keto-6-(3-nitrophenyl)pyrazin-1-yl]acetic acid Formula: C15H15ClN4O5 MolecularWeight: 366.7564

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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)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)NC1=NC(=C(N(C1=O)CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H15ClN4O5/c1-8(2)17-14-15(23)19(7-11(21)22)12(13(16)18-14)9-4-3-5-10(6-9)20(24)25/h3-6,8H,7H2,1-2H3,(H,17,18)(H,21,22)