[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H13BrN4O6 MolecularWeight: 461.22302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H13BrN4O6/c19-13-7-10(23(27)28)5-6-14(13)20-16(24)9-29-17(25)8-15-11-3-1-2-4-12(11)18(26)22-21-15/h1-7H,8-9H2,(H,20,24)(H,22,26)