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

Systemtic Name: (phenylmethyl) 2-[3-chloranyl-2-(3-nitrophenyl)-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-chloro-2-(3-nitrophenyl)-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate CAS Name: 2-[3-chloro-2-(3-nitrophenyl)-6-oxo-5-(phenethylamino)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-chloro-2-(3-nitrophenyl)-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-2-keto-6-(3-nitrophenyl)-3-(phenethylamino)pyrazin-1-yl]acetic acid benzyl ester Formula: C27H23ClN4O5 MolecularWeight: 518.94832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H23ClN4O5/c28-25-24(21-12-7-13-22(16-21)32(35)36)31(17-23(33)37-18-20-10-5-2-6-11-20)27(34)26(30-25)29-15-14-19-8-3-1-4-9-19/h1-13,16H,14-15,17-18H2,(H,29,30)