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

Systemtic Name: 2-[3-chloranyl-2-(3-nitrophenyl)-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-chloro-2-(3-nitrophenyl)-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetic acid CAS Name: 2-[3-chloro-2-(3-nitrophenyl)-6-oxo-5-(phenethylamino)-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-chloro-2-(3-nitrophenyl)-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-2-keto-6-(3-nitrophenyl)-3-(phenethylamino)pyrazin-1-yl]acetic acid Formula: C20H17ClN4O5 MolecularWeight: 428.82578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H17ClN4O5/c21-18-17(14-7-4-8-15(11-14)25(29)30)24(12-16(26)27)20(28)19(23-18)22-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,23)(H,26,27)