(2S)-2-[(4-nitrophenyl)methylcarbamoylamino]-3-phenyl-N-pyridin-4-yl-propanamide

Systemtic Name: (2S)-2-[(4-nitrophenyl)methylcarbamoylamino]-3-phenyl-N-pyridin-4-yl-propanamide Openeye Name: (2S)-2-[(4-nitrophenyl)methylcarbamoylamino]-3-phenyl-N-(4-pyridyl)propanamide CAS Name: (2S)-2-[[[(4-nitrophenyl)methylamino]-oxomethyl]amino]-3-phenyl-N-pyridin-4-ylpropanamide IUPAC Name: (2S)-2-[(4-nitrophenyl)methylcarbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide Traditional Name: (2S)-2-[(4-nitrobenzyl)carbamoylamino]-3-phenyl-N-(4-pyridyl)propionamide Formula: C22H21N5O4 MolecularWeight: 419.43324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC=NC=C2)NC(=O)NCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=NC=C2)NC(=O)NCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4/c28-21(25-18-10-12-23-13-11-18)20(14-16-4-2-1-3-5-16)26-22(29)24-15-17-6-8-19(9-7-17)27(30)31/h1-13,20H,14-15H2,(H,23,25,28)(H2,24,26,29)/t20-/m0/s1