[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C23H20BrN3O5 MolecularWeight: 498.326

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C23H20BrN3O5/c1-13-6-8-19-16(10-13)22(15-4-2-3-5-18(15)25-19)23(29)32-12-21(28)26-20-9-7-14(27(30)31)11-17(20)24/h2-5,7,9,11,13H,6,8,10,12H2,1H3,(H,26,28)