3-[[4-[(2S)-2-methylpiperidin-1-yl]carbonylphenyl]amino]-1-(4-nitrophenyl)propan-1-one

Systemtic Name: 3-[[4-[(2S)-2-methylpiperidin-1-yl]carbonylphenyl]amino]-1-(4-nitrophenyl)propan-1-one Openeye Name: 3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]-1-(4-nitrophenyl)propan-1-one CAS Name: 3-[4-[[(2S)-2-methyl-1-piperidinyl]-oxomethyl]anilino]-1-(4-nitrophenyl)-1-propanone IUPAC Name: 3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]-1-(4-nitrophenyl)propan-1-one Traditional Name: 3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]-1-(4-nitrophenyl)propan-1-one Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2=CC=C(C=C2)NCCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C2=CC=C(C=C2)NCCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4/c1-16-4-2-3-15-24(16)22(27)18-5-9-19(10-6-18)23-14-13-21(26)17-7-11-20(12-8-17)25(28)29/h5-12,16,23H,2-4,13-15H2,1H3/t16-/m0/s1