[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O7/c1-11-6-7-12(8-15(11)22(27)28)16(23)10-29-17(24)9-21-19(26)14-5-3-2-4-13(14)18(25)20-21/h2-8H,9-10H2,1H3,(H,20,25)