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

Systemtic Name: 3-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]phthalazine-1-carboxylic acid Formula: C19H16N4O7 MolecularWeight: 412.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O7/c1-10-7-14(23(28)29)15(30-2)8-13(10)20-16(24)9-22-18(25)12-6-4-3-5-11(12)17(21-22)19(26)27/h3-8H,9H2,1-2H3,(H,20,24)(H,26,27)