N-[(2S)-1-[[2-(dimethylaminomethyl)phenyl]methylamino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[[2-(dimethylaminomethyl)phenyl]methylamino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-[[2-(dimethylaminomethyl)phenyl]methylamino]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-[[2-(dimethylaminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[[2-(dimethylaminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-[[2-(dimethylaminomethyl)benzyl]amino]-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1CN(C)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1CN(C)C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-14(22-20(26)15-9-6-10-18(11-15)24(27)28)19(25)21-12-16-7-4-5-8-17(16)13-23(2)3/h4-11,14H,12-13H2,1-3H3,(H,21,25)(H,22,26)/t14-/m0/s1