4-(cyclopropylamino)-3-nitro-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]benzamide

Systemtic Name: 4-(cyclopropylamino)-3-nitro-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]benzamide Openeye Name: 4-(cyclopropylamino)-3-nitro-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide CAS Name: 4-(cyclopropylamino)-3-nitro-N-[4-(3-oxo-1-piperazinyl)phenyl]benzamide IUPAC Name: 4-(cyclopropylamino)-3-nitro-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide Traditional Name: 4-(cyclopropylamino)-N-[4-(3-ketopiperazino)phenyl]-3-nitro-benzamide Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCNC(=O)C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCNC(=O)C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4/c26-19-12-24(10-9-21-19)16-6-4-15(5-7-16)23-20(27)13-1-8-17(22-14-2-3-14)18(11-13)25(28)29/h1,4-8,11,14,22H,2-3,9-10,12H2,(H,21,26)(H,23,27)