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

Systemtic Name: propan-2-yl 4-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O5/c1-13(2)29-20(26)14-4-6-16(7-5-14)22-19(25)12-23(3)11-15-10-17(24(27)28)8-9-18(15)21/h4-10,13H,11-12H2,1-3H3,(H,22,25)