ethyl 2-[2-[(4-chlorophenyl)methyl-(2-nitrophenyl)amino]butanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[(4-chlorophenyl)methyl-(2-nitrophenyl)amino]butanoylamino]ethanoate Openeye Name: ethyl 2-[2-[N-[(4-chlorophenyl)methyl]-2-nitro-anilino]butanoylamino]acetate CAS Name: 2-[[2-[N-[(4-chlorophenyl)methyl]-2-nitroanilino]-1-oxobutyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[N-[(4-chlorophenyl)methyl]-2-nitroanilino]butanoylamino]acetate Traditional Name: 2-[2-(N-(4-chlorobenzyl)-2-nitro-anilino)butanoylamino]acetic acid ethyl ester Formula: C21H24ClN3O5 MolecularWeight: 433.88536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC(=O)OCC)N(CC1=CC=C(C=C1)Cl)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NCC(=O)OCC)N(CC1=CC=C(C=C1)Cl)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O5/c1-3-17(21(27)23-13-20(26)30-4-2)24(14-15-9-11-16(22)12-10-15)18-7-5-6-8-19(18)25(28)29/h5-12,17H,3-4,13-14H2,1-2H3,(H,23,27)