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

Systemtic Name: 3-[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(4-chloro-2-nitro-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C17H11ClN4O6 MolecularWeight: 402.74544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN4O6/c18-9-5-6-12(13(7-9)22(27)28)19-14(23)8-21-16(24)11-4-2-1-3-10(11)15(20-21)17(25)26/h1-7H,8H2,(H,19,23)(H,25,26)