2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C22H19N5O5 MolecularWeight: 433.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O5/c1-15-23-13-19(27(30)31)25(15)11-12-32-22(29)20-17-9-5-6-10-18(17)21(28)26(24-20)14-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3