methyl (10-nitro-4-oxidanylidene-3-phenyl-pyrido[2,1-a]phthalazin-1-yl) carbonate

Systemtic Name: methyl (10-nitro-4-oxidanylidene-3-phenyl-pyrido[2,1-a]phthalazin-1-yl) carbonate Openeye Name: methyl (10-nitro-4-oxo-3-phenyl-pyrido[2,1-a]phthalazin-1-yl) carbonate CAS Name: carbonic acid methyl (10-nitro-4-oxo-3-phenyl-1-pyrido[2,1-a]phthalazinyl) ester IUPAC Name: methyl (10-nitro-4-oxo-3-phenylpyrido[2,1-a]phthalazin-1-yl) carbonate Traditional Name: carbonic acid (4-keto-10-nitro-3-phenyl-pyrido[2,1-a]phthalazin-1-yl) methyl ester Formula: C20H13N3O6 MolecularWeight: 391.33372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=C2C3=C(C=CC(=C3)[N+](=O)[O-])C=NN2C(=O)C(=C1)C4=CC=CC=C4

Isomeric SMILES

COC(=O)OC1=C2C3=C(C=CC(=C3)[N+](=O)[O-])C=NN2C(=O)C(=C1)C4=CC=CC=C4

InChI

InChI=1S/C20H13N3O6/c1-28-20(25)29-17-10-16(12-5-3-2-4-6-12)19(24)22-18(17)15-9-14(23(26)27)8-7-13(15)11-21-22/h2-11H,1H3