4-[(4-bromanyl-2-nitro-phenyl)amino]butanoate

Systemtic Name: 4-[(4-bromanyl-2-nitro-phenyl)amino]butanoate Openeye Name: 4-(4-bromo-2-nitro-anilino)butanoate CAS Name: 4-(4-bromo-2-nitroanilino)butanoate IUPAC Name: 4-(4-bromo-2-nitroanilino)butanoate Traditional Name: 4-(4-bromo-2-nitro-anilino)butyrate Formula: C10H10BrN2O4- MolecularWeight: 302.1014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)[N+](=O)[O-])NCCCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)[N+](=O)[O-])NCCCC(=O)[O-]

InChI

InChI=1S/C10H11BrN2O4/c11-7-3-4-8(9(6-7)13(16)17)12-5-1-2-10(14)15/h3-4,6,12H,1-2,5H2,(H,14,15)/p-1