6-[(4-bromanyl-3-methyl-5-nitro-phenyl)carbamoylamino]hexanoic acid

Systemtic Name: 6-[(4-bromanyl-3-methyl-5-nitro-phenyl)carbamoylamino]hexanoic acid Openeye Name: 6-[(4-bromo-3-methyl-5-nitro-phenyl)carbamoylamino]hexanoic acid CAS Name: 6-[[(4-bromo-3-methyl-5-nitroanilino)-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(4-bromo-3-methyl-5-nitrophenyl)carbamoylamino]hexanoic acid Traditional Name: 6-[(4-bromo-3-methyl-5-nitro-phenyl)carbamoylamino]hexanoic acid Formula: C14H18BrN3O5 MolecularWeight: 388.21382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)[N+](=O)[O-])NC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Br)[N+](=O)[O-])NC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C14H18BrN3O5/c1-9-7-10(8-11(13(9)15)18(22)23)17-14(21)16-6-4-2-3-5-12(19)20/h7-8H,2-6H2,1H3,(H,19,20)(H2,16,17,21)