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

Systemtic Name: N-[2-[[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-[3-chloro-4-(3-oxopiperazin-1-yl)anilino]-2-oxo-ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-[3-chloro-4-(3-oxo-1-piperazinyl)anilino]-2-oxoethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-[3-chloro-4-(3-oxopiperazin-1-yl)anilino]-2-oxoethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-[3-chloro-4-(3-ketopiperazino)anilino]-2-keto-ethyl]-4-methoxy-3-nitro-benzamide Formula: C20H20ClN5O6 MolecularWeight: 461.8557

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN5O6/c1-32-17-5-2-12(8-16(17)26(30)31)20(29)23-10-18(27)24-13-3-4-15(14(21)9-13)25-7-6-22-19(28)11-25/h2-5,8-9H,6-7,10-11H2,1H3,(H,22,28)(H,23,29)(H,24,27)