2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5-nitro-benzaldehyde

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5-nitro-benzaldehyde Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5-nitro-benzaldehyde CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-5-nitrobenzaldehyde IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-5-nitrobenzaldehyde Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazino]-5-nitro-benzaldehyde Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H16N4O3S/c23-12-13-11-14(22(24)25)5-6-16(13)20-7-9-21(10-8-20)18-19-15-3-1-2-4-17(15)26-18/h1-6,11-12H,7-10H2