ethyl 3-[2-[(3-chlorophenyl)methyl]butanoylamino]-4-nitro-benzoate

Systemtic Name: ethyl 3-[2-[(3-chlorophenyl)methyl]butanoylamino]-4-nitro-benzoate Openeye Name: ethyl 3-[2-[(3-chlorophenyl)methyl]butanoylamino]-4-nitro-benzoate CAS Name: 3-[[2-[(3-chlorophenyl)methyl]-1-oxobutyl]amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(3-chlorophenyl)methyl]butanoylamino]-4-nitrobenzoate Traditional Name: 3-[2-(3-chlorobenzyl)butanoylamino]-4-nitro-benzoic acid ethyl ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5/c1-3-14(10-13-6-5-7-16(21)11-13)19(24)22-17-12-15(20(25)28-4-2)8-9-18(17)23(26)27/h5-9,11-12,14H,3-4,10H2,1-2H3,(H,22,24)