3-[1-(3-nitrophenyl)ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-(3-nitrophenyl)ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[1-(3-nitrophenyl)ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-(3-nitrophenyl)ethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(3-nitrophenyl)ethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[1-(3-nitrophenyl)ethyl]phthalazine-1-carboxylic acid Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C17H13N3O5/c1-10(11-5-4-6-12(9-11)20(24)25)19-16(21)14-8-3-2-7-13(14)15(18-19)17(22)23/h2-10H,1H3,(H,22,23)