(2R)-3-methyl-N-[2-[(4-nitrophenyl)amino]ethyl]-2-(phenylcarbamoylamino)butanamide

Systemtic Name: (2R)-3-methyl-N-[2-[(4-nitrophenyl)amino]ethyl]-2-(phenylcarbamoylamino)butanamide Openeye Name: (2R)-3-methyl-N-[2-(4-nitroanilino)ethyl]-2-(phenylcarbamoylamino)butanamide CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methyl-N-[2-(4-nitroanilino)ethyl]butanamide IUPAC Name: (2R)-3-methyl-N-[2-(4-nitroanilino)ethyl]-2-(phenylcarbamoylamino)butanamide Traditional Name: (2R)-3-methyl-N-[2-(4-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=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-14(2)18(24-20(27)23-16-6-4-3-5-7-16)19(26)22-13-12-21-15-8-10-17(11-9-15)25(28)29/h3-11,14,18,21H,12-13H2,1-2H3,(H,22,26)(H2,23,24,27)/t18-/m1/s1