3-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2-nitroanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(2-nitroanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(2-nitroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(2-nitroanilino)ethyl]phthalazine-1-carboxylic acid Formula: C17H12N4O6 MolecularWeight: 368.30038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H12N4O6/c22-14(18-12-7-3-4-8-13(12)21(26)27)9-20-16(23)11-6-2-1-5-10(11)15(19-20)17(24)25/h1-8H,9H2,(H,18,22)(H,24,25)