3-[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(2-cyano-4-nitroanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(2-cyano-4-nitroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(2-cyano-4-nitro-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H11N5O6 MolecularWeight: 393.30984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11N5O6/c19-8-10-7-11(23(28)29)5-6-14(10)20-15(24)9-22-17(25)13-4-2-1-3-12(13)16(21-22)18(26)27/h1-7H,9H2,(H,20,24)(H,26,27)