4-methyl-3-nitro-N-[2-oxidanylidene-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[2-oxidanylidene-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[2-oxo-2-[[(1S)-1-(2-pyridyl)ethyl]amino]ethyl]benzamide CAS Name: 4-methyl-3-nitro-N-[2-oxo-2-[[(1S)-1-(2-pyridinyl)ethyl]amino]ethyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]benzamide Traditional Name: N-[2-keto-2-[[(1S)-1-(2-pyridyl)ethyl]amino]ethyl]-4-methyl-3-nitro-benzamide Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC(C)C2=CC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N[C@@H](C)C2=CC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4/c1-11-6-7-13(9-15(11)21(24)25)17(23)19-10-16(22)20-12(2)14-5-3-4-8-18-14/h3-9,12H,10H2,1-2H3,(H,19,23)(H,20,22)/t12-/m0/s1