7a-(3-prop-2-ynoxy-1,2-benzoxazol-5-yl)-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione

Systemtic Name: 7a-(3-prop-2-ynoxy-1,2-benzoxazol-5-yl)-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione Openeye Name: 7a-(3-prop-2-ynoxy-1,2-benzoxazol-5-yl)-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione CAS Name: 7a-(3-prop-2-ynoxy-1,2-benzoxazol-5-yl)-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione IUPAC Name: 7a-(3-prop-2-ynoxy-1,2-benzoxazol-5-yl)-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione Traditional Name: 7a-(3-propargyloxyindoxazen-5-yl)-4,5,6,7-tetrahydro-3aH-isoindole-1,3-quinone Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=NOC2=C1C=C(C=C2)C34CCCCC3C(=O)NC4=O

Isomeric SMILES

C#CCOC1=NOC2=C1C=C(C=C2)C34CCCCC3C(=O)NC4=O

InChI

InChI=1S/C18H16N2O4/c1-2-9-23-16-12-10-11(6-7-14(12)24-20-16)18-8-4-3-5-13(18)15(21)19-17(18)22/h1,6-7,10,13H,3-5,8-9H2,(H,19,21,22)