1-[2-(3-nitrophenyl)-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl]urea

Systemtic Name: 1-[2-(3-nitrophenyl)-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl]urea Openeye Name: [2-(3-nitrophenyl)-4-oxo-4aH-quinazolin-3-ium-3-yl]urea CAS Name: [2-(3-nitrophenyl)-4-oxo-4aH-quinazolin-3-ium-3-yl]urea IUPAC Name: [2-(3-nitrophenyl)-4-oxo-4aH-quinazolin-3-ium-3-yl]urea Traditional Name: [4-keto-2-(3-nitrophenyl)-4aH-quinazolin-3-ium-3-yl]urea Formula: C15H12N5O4+ MolecularWeight: 326.28688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC(=[N+](C2=O)NC(=O)N)C3=CC(=CC=C3)[N+](=O)[O-])C=C1

Isomeric SMILES

C1=CC2C(=NC(=[N+](C2=O)NC(=O)N)C3=CC(=CC=C3)[N+](=O)[O-])C=C1

InChI

InChI=1S/C15H11N5O4/c16-15(22)18-19-13(9-4-3-5-10(8-9)20(23)24)17-12-7-2-1-6-11(12)14(19)21/h1-8,11H,(H2-,16,18,22)/p+1