(2S)-3-methyl-N-[2-[(2-nitrophenyl)amino]ethyl]-2-(phenylcarbamoylamino)butanamide

Systemtic Name: (2S)-3-methyl-N-[2-[(2-nitrophenyl)amino]ethyl]-2-(phenylcarbamoylamino)butanamide Openeye Name: (2S)-3-methyl-N-[2-(2-nitroanilino)ethyl]-2-(phenylcarbamoylamino)butanamide CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methyl-N-[2-(2-nitroanilino)ethyl]butanamide IUPAC Name: (2S)-3-methyl-N-[2-(2-nitroanilino)ethyl]-2-(phenylcarbamoylamino)butanamide Traditional Name: (2S)-3-methyl-N-[2-(2-nitroanilino)ethyl]-2-(phenylcarbamoylamino)butyramide Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H25N5O4/c1-14(2)18(24-20(27)23-15-8-4-3-5-9-15)19(26)22-13-12-21-16-10-6-7-11-17(16)25(28)29/h3-11,14,18,21H,12-13H2,1-2H3,(H,22,26)(H2,23,24,27)/t18-/m0/s1