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(4-nitrophenyl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

(4-nitrophenyl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name:(4-nitrophenyl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate
Openeye Name:(4-nitrophenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate
CAS Name:4-oxo-3H-phthalazine-1-carboxylic acid (4-nitrophenyl)methyl ester
IUPAC Name:(4-nitrophenyl)methyl 4-oxo-3H-phthalazine-1-carboxylate
Traditional Name:4-keto-3H-phthalazine-1-carboxylic acid (4-nitrobenzyl) ester
Formula: C16H11N3O5
MolecularWeight: 325.27564
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C16H11N3O5/c20-15-13-4-2-1-3-12(13)14(17-18-15)16(21)24-9-10-5-7-11(8-6-10)19(22)23/h1-8H,9H2,(H,18,20)


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