N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-keto-2-[4-(2-methoxyphenyl)piperazino]-1-methyl-ethyl]-3-nitro-benzamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2OC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2OC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-15(22-20(26)16-6-5-7-17(14-16)25(28)29)21(27)24-12-10-23(11-13-24)18-8-3-4-9-19(18)30-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,26)/t15-/m0/s1