N-[2-[[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[3-chloro-4-(3-oxopiperazin-1-yl)anilino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[3-chloro-4-(3-oxo-1-piperazinyl)anilino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[3-chloro-4-(3-oxopiperazin-1-yl)anilino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[3-chloro-4-(3-ketopiperazino)anilino]-2-keto-ethyl]-3-nitro-benzamide Formula: C19H18ClN5O5 MolecularWeight: 431.82972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H18ClN5O5/c20-15-9-13(4-5-16(15)24-7-6-21-18(27)11-24)23-17(26)10-22-19(28)12-2-1-3-14(8-12)25(29)30/h1-5,8-9H,6-7,10-11H2,(H,21,27)(H,22,28)(H,23,26)