6-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]acetyl]-4H-1,4-benzoxazin-3-one Formula: C22H18N3O5+ MolecularWeight: 404.39542

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5/c26-20(17-3-6-21-19(12-17)23-22(27)14-30-21)13-24-9-7-16(8-10-24)11-15-1-4-18(5-2-15)25(28)29/h1-10,12H,11,13-14H2/p+1