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

Systemtic Name: N-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C21H25ClN5O4+ MolecularWeight: 446.9073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN5O4/c1-14-16(22)4-3-5-17(14)24-20(28)13-23-21(29)15-6-7-18(19(12-15)27(30)31)26-10-8-25(2)9-11-26/h3-7,12H,8-11,13H2,1-2H3,(H,23,29)(H,24,28)/p+1