2-[[(3-nitrophenyl)amino]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[(3-nitrophenyl)amino]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 2-[(3-nitroanilino)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one CAS Name: 2-[(3-nitroanilino)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(3-nitroanilino)methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 2-[(3-nitroanilino)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one Formula: C17H12N4O4 MolecularWeight: 336.30158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=O)N=C(N3)CNC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=O)N=C(N3)CNC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O4/c22-17-16-15(12-6-1-2-7-13(12)25-16)19-14(20-17)9-18-10-4-3-5-11(8-10)21(23)24/h1-8,18H,9H2,(H,19,20,22)