N-[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[3-chloro-2-(4-propionylpiperazino)phenyl]-4-methoxy-3-nitro-benzamide Formula: C21H23ClN4O5 MolecularWeight: 446.88412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O5/c1-3-19(27)24-9-11-25(12-10-24)20-15(22)5-4-6-16(20)23-21(28)14-7-8-18(31-2)17(13-14)26(29)30/h4-8,13H,3,9-12H2,1-2H3,(H,23,28)