(E)-4-[2-(6-nitroquinazolin-4-yl)hydrazinyl]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[2-(6-nitroquinazolin-4-yl)hydrazinyl]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[2-(6-nitroquinazolin-4-yl)hydrazino]-4-oxo-but-2-enoate CAS Name: (E)-4-[(6-nitro-4-quinazolinyl)hydrazo]-4-oxo-2-butenoate IUPAC Name: (E)-4-[2-(6-nitroquinazolin-4-yl)hydrazinyl]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[N'-(6-nitroquinazolin-4-yl)hydrazino]but-2-enoate Formula: C12H8N5O5- MolecularWeight: 302.22242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=NC=N2)NNC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=NC=N2)NNC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C12H9N5O5/c18-10(3-4-11(19)20)15-16-12-8-5-7(17(21)22)1-2-9(8)13-6-14-12/h1-6H,(H,15,18)(H,19,20)(H,13,14,16)/p-1/b4-3+