4-bromanyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3-nitro-benzamide

Systemtic Name: 4-bromanyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3-nitro-benzamide Openeye Name: 4-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3-nitro-benzamide CAS Name: 4-bromo-N-[4-[(4-methoxyanilino)-oxomethyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3-nitrobenzamide Traditional Name: 4-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3-nitro-benzamide Formula: C21H16BrN3O5 MolecularWeight: 470.27284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H16BrN3O5/c1-30-17-9-7-16(8-10-17)23-20(26)13-2-5-15(6-3-13)24-21(27)14-4-11-18(22)19(12-14)25(28)29/h2-12H,1H3,(H,23,26)(H,24,27)