3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 3-[2-(3-nitrophenyl)-2-oxo-ethyl]-4aH-quinazolin-3-ium-4-one CAS Name: 3-[2-(3-nitrophenyl)-2-oxoethyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-[2-(3-nitrophenyl)-2-oxoethyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 3-[2-keto-2-(3-nitrophenyl)ethyl]-4aH-quinazolin-3-ium-4-one Formula: C16H12N3O4+ MolecularWeight: 310.28418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N3O4/c20-15(11-4-3-5-12(8-11)19(22)23)9-18-10-17-14-7-2-1-6-13(14)16(18)21/h1-8,10,13H,9H2/q+1