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

Systemtic Name: methyl 3-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-[[2-(2-ethylanilino)-2-oxoethyl]-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(2-ethylanilino)-2-keto-ethyl]-methyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-4-13-7-5-6-8-17(13)21-18(24)12-22(2)19(25)14-9-15(20(26)29-3)11-16(10-14)23(27)28/h5-11H,4,12H2,1-3H3,(H,21,24)