5-(aziridin-1-yl)-1-methyl-2-[(E)-3-oxidanylprop-1-enyl]indole-4,7-dione

Systemtic Name: 5-(aziridin-1-yl)-1-methyl-2-[(E)-3-oxidanylprop-1-enyl]indole-4,7-dione Openeye Name: 5-(aziridin-1-yl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methyl-indole-4,7-dione CAS Name: 5-(1-aziridinyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione IUPAC Name: 5-(aziridin-1-yl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione Traditional Name: 5-ethylenimino-2-[(E)-3-hydroxyprop-1-enyl]-1-methyl-indole-4,7-quinone Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=O)C=C(C2=O)N3CC3)C=CCO

Isomeric SMILES

CN1C(=CC2=C1C(=O)C=C(C2=O)N3CC3)/C=C/CO

InChI

InChI=1S/C14H14N2O3/c1-15-9(3-2-6-17)7-10-13(15)12(18)8-11(14(10)19)16-4-5-16/h2-3,7-8,17H,4-6H2,1H3/b3-2+