methyl 2-[4-(3-nitrophenyl)-1-oxidanylidene-phthalazin-2-yl]ethanoate

Systemtic Name: methyl 2-[4-(3-nitrophenyl)-1-oxidanylidene-phthalazin-2-yl]ethanoate Openeye Name: methyl 2-[4-(3-nitrophenyl)-1-oxo-phthalazin-2-yl]acetate CAS Name: 2-[4-(3-nitrophenyl)-1-oxo-2-phthalazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-nitrophenyl)-1-oxophthalazin-2-yl]acetate Traditional Name: 2-[1-keto-4-(3-nitrophenyl)phthalazin-2-yl]acetic acid methyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5/c1-25-15(21)10-19-17(22)14-8-3-2-7-13(14)16(18-19)11-5-4-6-12(9-11)20(23)24/h2-9H,10H2,1H3