3-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]phthalazine-1-carboxylic acid Formula: C18H14N4O7 MolecularWeight: 398.32636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C18H14N4O7/c1-29-14-7-6-10(22(27)28)8-13(14)19-15(23)9-21-17(24)12-5-3-2-4-11(12)16(20-21)18(25)26/h2-8H,9H2,1H3,(H,19,23)(H,25,26)