methyl 4-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2-chloro-5-nitro-benzyl)-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H18ClN3O5/c1-21(10-13-9-15(22(25)26)7-8-16(13)19)11-17(23)20-14-5-3-12(4-6-14)18(24)27-2/h3-9H,10-11H2,1-2H3,(H,20,23)