6-hexyl-3-[5-(4-nitrophenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]chromene-2,7-dione

Systemtic Name: 6-hexyl-3-[5-(4-nitrophenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]chromene-2,7-dione Openeye Name: 6-hexyl-3-[5-(4-nitrophenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]chromene-2,7-dione CAS Name: 6-hexyl-3-[5-(4-nitrophenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-benzopyran-2,7-dione IUPAC Name: 6-hexyl-3-[5-(4-nitrophenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]chromene-2,7-dione Traditional Name: 6-hexyl-3-[5-(4-nitrophenyl)-1,2-dihydro-1,2,4-triazol-3-ylidene]chromene-2,7-quinone Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=CC(=C3NNC(=N3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC2=CC1=O

Isomeric SMILES

CCCCCCC1=CC2=CC(=C3NNC(=N3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC2=CC1=O

InChI

InChI=1S/C23H22N4O5/c1-2-3-4-5-6-15-11-16-12-18(23(29)32-20(16)13-19(15)28)22-24-21(25-26-22)14-7-9-17(10-8-14)27(30)31/h7-13,26H,2-6H2,1H3,(H,24,25)