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

Systemtic Name: ethyl 3-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-ethylanilino)-2-oxoethyl]-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(2-ethylanilino)-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:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

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