2-bromanyl-4-nitro-6-[[4-(4-propanoylpiperazin-1-yl)phenyl]iminomethyl]phenolate

Systemtic Name: 2-bromanyl-4-nitro-6-[[4-(4-propanoylpiperazin-1-yl)phenyl]iminomethyl]phenolate Openeye Name: 2-bromo-4-nitro-6-[[4-(4-propanoylpiperazin-1-yl)phenyl]iminomethyl]phenolate CAS Name: 2-bromo-4-nitro-6-[[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]iminomethyl]phenolate IUPAC Name: 2-bromo-4-nitro-6-[[4-(4-propanoylpiperazin-1-yl)phenyl]iminomethyl]phenolate Traditional Name: 2-bromo-4-nitro-6-[[4-(4-propionylpiperazino)phenyl]iminomethyl]phenolate Formula: C20H20BrN4O4- MolecularWeight: 460.3012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN4O4/c1-2-19(26)24-9-7-23(8-10-24)16-5-3-15(4-6-16)22-13-14-11-17(25(28)29)12-18(21)20(14)27/h3-6,11-13,27H,2,7-10H2,1H3/p-1