[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(diethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(diethylamino)-5-nitro-benzoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H22BrN3O5 MolecularWeight: 464.30978

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C20H22BrN3O5/c1-4-23(5-2)18-9-7-14(24(27)28)11-15(18)20(26)29-12-19(25)22-17-8-6-13(3)10-16(17)21/h6-11H,4-5,12H2,1-3H3,(H,22,25)