(4S)-2-(2-nitrophenyl)-4-(pyridin-2-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(2-nitrophenyl)-4-(pyridin-2-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2-nitrophenyl)-4-(2-pyridylmethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2-nitrophenyl)-4-(2-pyridinylmethyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(2-nitrophenyl)-4-(pyridin-2-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2-nitrophenyl)-4-(2-pyridylmethyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C22H16N4O4 MolecularWeight: 400.38684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N(C2=O)C3=CC=CC=C3[N+](=O)[O-])C=NCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](C(=O)N(C2=O)C3=CC=CC=C3[N+](=O)[O-])C=NCC4=CC=CC=N4

InChI

InChI=1S/C22H16N4O4/c27-21-17-9-2-1-8-16(17)18(14-23-13-15-7-5-6-12-24-15)22(28)25(21)19-10-3-4-11-20(19)26(29)30/h1-12,14,18H,13H2/t18-/m1/s1