[4-(4-bromophenyl)-4-oxidanylidene-butyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 4-azanyl-3-nitro-benzoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C17H15BrN2O5 MolecularWeight: 407.2154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCOC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCOC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])Br

InChI

InChI=1S/C17H15BrN2O5/c18-13-6-3-11(4-7-13)16(21)2-1-9-25-17(22)12-5-8-14(19)15(10-12)20(23)24/h3-8,10H,1-2,9,19H2