(2-methoxy-5-nitro-phenyl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid (2-methoxy-5-nitro-benzyl) ester Formula: C18H15N3O7 MolecularWeight: 385.3276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C18H15N3O7/c1-27-15-7-6-12(21(25)26)8-11(15)10-28-16(22)9-20-18(24)14-5-3-2-4-13(14)17(23)19-20/h2-8H,9-10H2,1H3,(H,19,23)