[2-[(4-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [2-[(4-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [2-[(4-bromophenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [2-[(4-bromophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-bromophenyl)methyl-methylamino]-2-oxoethyl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [2-[(4-bromobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H22BrN3O5 MolecularWeight: 464.30978

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)C(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)C(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H22BrN3O5/c1-23(13-15-8-10-16(21)11-9-15)19(25)14-29-20(26)7-4-12-22-17-5-2-3-6-18(17)24(27)28/h2-3,5-6,8-11,22H,4,7,12-14H2,1H3