4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzaldehyde

Systemtic Name: 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzaldehyde Openeye Name: 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethoxy]-3-nitro-benzaldehyde CAS Name: 4-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethoxy]-3-nitrobenzaldehyde IUPAC Name: 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-3-nitrobenzaldehyde Traditional Name: 4-[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethoxy]-3-nitro-benzaldehyde Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C=O)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N3O5/c1-15-4-3-5-18(16(15)2)22-8-10-23(11-9-22)21(26)14-29-20-7-6-17(13-25)12-19(20)24(27)28/h3-7,12-13H,8-11,14H2,1-2H3