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

Systemtic Name: ethyl 3-[2-[(2-bromophenyl)methyl]butanoylamino]-4-nitro-benzoate Openeye Name: ethyl 3-[2-[(2-bromophenyl)methyl]butanoylamino]-4-nitro-benzoate CAS Name: 3-[[2-[(2-bromophenyl)methyl]-1-oxobutyl]amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(2-bromophenyl)methyl]butanoylamino]-4-nitrobenzoate Traditional Name: 3-[2-(2-bromobenzyl)butanoylamino]-4-nitro-benzoic acid ethyl ester Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1Br)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC(CC1=CC=CC=C1Br)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN2O5/c1-3-13(11-14-7-5-6-8-16(14)21)19(24)22-17-12-15(20(25)28-4-2)9-10-18(17)23(26)27/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,24)