[3-(4-nitrophenyl)carbonyl-1,3-diazinan-1-yl]-phenyl-methanone

Systemtic Name: [3-(4-nitrophenyl)carbonyl-1,3-diazinan-1-yl]-phenyl-methanone Openeye Name: [3-(4-nitrobenzoyl)hexahydropyrimidin-1-yl]-phenyl-methanone CAS Name: [3-[(4-nitrophenyl)-oxomethyl]-1,3-diazinan-1-yl]-phenylmethanone IUPAC Name: [3-(4-nitrobenzoyl)-1,3-diazinan-1-yl]-phenylmethanone Traditional Name: [3-(4-nitrobenzoyl)hexahydropyrimidin-1-yl]-phenyl-methanone Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CN(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CN(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4/c22-17(14-5-2-1-3-6-14)19-11-4-12-20(13-19)18(23)15-7-9-16(10-8-15)21(24)25/h1-3,5-10H,4,11-13H2