3-[(4-aminocarbonyl-2-nitro-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(4-aminocarbonyl-2-nitro-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(4-carbamoyl-2-nitro-phenyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(4-carbamoyl-2-nitrophenyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(4-carbamoyl-2-nitrophenyl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(4-carbamoyl-2-nitro-benzyl)-4-keto-phthalazine-1-carboxylic acid Formula: C17H12N4O6 MolecularWeight: 368.30038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H12N4O6/c18-15(22)9-5-6-10(13(7-9)21(26)27)8-20-16(23)12-4-2-1-3-11(12)14(19-20)17(24)25/h1-7H,8H2,(H2,18,22)(H,24,25)