ethyl 3-[[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(2,5-dimethylanilino)-2-oxo-ethyl]-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(2,5-dimethylanilino)-2-keto-ethyl]-methyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC(=O)NC2=C(C=CC(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC(=O)NC2=C(C=CC(=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-5-30-21(27)16-9-15(10-17(11-16)24(28)29)20(26)23(4)12-19(25)22-18-8-13(2)6-7-14(18)3/h6-11H,5,12H2,1-4H3,(H,22,25)