3-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]phthalazine-1-carboxylic acid Formula: C18H14N4O6 MolecularWeight: 382.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C18H14N4O6/c1-10(16(23)19-13-8-4-5-9-14(13)22(27)28)21-17(24)12-7-3-2-6-11(12)15(20-21)18(25)26/h2-10H,1H3,(H,19,23)(H,25,26)/t10-/m1/s1