N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C20H21ClN4O6 MolecularWeight: 448.85694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl)OC

InChI

InChI=1S/C20H21ClN4O6/c1-3-31-18-10-16(25(28)29)13(9-17(18)30-2)20(27)23-12-4-5-15(14(21)8-12)24-7-6-22-19(26)11-24/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,22,26)(H,23,27)