2-chloranyl-N-[1-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[1-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[1-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazine-1-carbonyl]-2-methyl-propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[1-[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[1-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[1-[4-[2-(dimethylamino)-2-keto-ethyl]piperazine-1-carbonyl]-2-methyl-propyl]-4-nitro-benzamide Formula: C20H28ClN5O5 MolecularWeight: 453.91982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC(=O)N(C)C)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)CC(=O)N(C)C)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H28ClN5O5/c1-13(2)18(22-19(28)15-6-5-14(26(30)31)11-16(15)21)20(29)25-9-7-24(8-10-25)12-17(27)23(3)4/h5-6,11,13,18H,7-10,12H2,1-4H3,(H,22,28)