4-[4-[3-(4-bromanyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[4-[3-(4-bromanyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-[3-(4-bromo-2-methyl-phenoxy)propanoyl]piperazin-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-[3-(4-bromo-2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-[3-(4-bromo-2-methylphenoxy)propanoyl]piperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[4-[3-(4-bromo-2-methyl-phenoxy)propanoyl]piperazino]-3-nitro-benzaldehyde Formula: C21H22BrN3O5 MolecularWeight: 476.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C21H22BrN3O5/c1-15-12-17(22)3-5-20(15)30-11-6-21(27)24-9-7-23(8-10-24)18-4-2-16(14-26)13-19(18)25(28)29/h2-5,12-14H,6-11H2,1H3