N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-7-methoxy-2-(4-nitrophenyl)quinoline-4-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-7-methoxy-2-(4-nitrophenyl)quinoline-4-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-7-methoxy-2-(4-nitrophenyl)quinoline-4-carboxamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-7-methoxy-2-(4-nitrophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-7-methoxy-2-(4-nitrophenyl)quinoline-4-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-7-methoxy-2-(4-nitrophenyl)cinchoninamide Formula: C26H22N4O5 MolecularWeight: 470.47668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC(CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C26H22N4O5/c1-35-19-11-12-20-21(26(32)29-24(25(27)31)13-16-5-3-2-4-6-16)15-22(28-23(20)14-19)17-7-9-18(10-8-17)30(33)34/h2-12,14-15,24H,13H2,1H3,(H2,27,31)(H,29,32)/t24-/m0/s1