2-[5-azanyl-1-(3-nitrophenyl)-3-oxidanylidene-2H-pyrrol-4-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[5-azanyl-1-(3-nitrophenyl)-3-oxidanylidene-2H-pyrrol-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[5-amino-1-(3-nitrophenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one CAS Name: 2-[5-amino-1-(3-nitrophenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one IUPAC Name: 2-[5-amino-1-(3-nitrophenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[2-amino-4-keto-1-(3-nitrophenyl)-2-pyrrolin-3-yl]-1H-quinazolin-4-one Formula: C18H13N5O4 MolecularWeight: 363.32692

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H13N5O4/c19-16-15(17-20-13-7-2-1-6-12(13)18(25)21-17)14(24)9-22(16)10-4-3-5-11(8-10)23(26)27/h1-8H,9,19H2,(H,20,21,25)