[4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-(phthalazin-1-ylhydrazono)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-(1-phthalazinylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-(phthalazin-1-ylhydrazono)methyl]phenyl] ester Formula: C22H15N5O4 MolecularWeight: 413.3856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2NN=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O4/c28-22(16-5-3-6-18(12-16)27(29)30)31-19-10-8-15(9-11-19)13-23-25-21-20-7-2-1-4-17(20)14-24-26-21/h1-14H,(H,25,26)/b23-13+