(Z)-4-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazin-1-yl]-4-oxo-but-2-enoic acid CAS Name: (Z)-4-[4-(6-nitro-4-phenyl-2-quinazolinyl)-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-[4-(6-nitro-4-phenylquinazolin-2-yl)piperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-4-[4-(6-nitro-4-phenyl-quinazolin-2-yl)piperazino]but-2-enoic acid Formula: C22H19N5O5 MolecularWeight: 433.41676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4)C(=O)C=CC(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4)C(=O)/C=C\C(=O)O

InChI

InChI=1S/C22H19N5O5/c28-19(8-9-20(29)30)25-10-12-26(13-11-25)22-23-18-7-6-16(27(31)32)14-17(18)21(24-22)15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,29,30)/b9-8-