2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methyl-naphthalene-1,4-dione

Systemtic Name: 2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methyl-naphthalene-1,4-dione Openeye Name: 2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methyl-naphthalene-1,4-dione CAS Name: 2,5-bis(1-aziridinyl)-3-(hydroxymethyl)-6-methylnaphthalene-1,4-dione IUPAC Name: 2,5-bis(aziridin-1-yl)-3-(hydroxymethyl)-6-methylnaphthalene-1,4-dione Traditional Name: 2,5-diethylenimino-6-methyl-3-methylol-1,4-naphthoquinone Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C(=C(C2=O)CO)N3CC3)N4CC4

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C(=C(C2=O)CO)N3CC3)N4CC4

InChI

InChI=1S/C16H16N2O3/c1-9-2-3-10-12(13(9)17-4-5-17)15(20)11(8-19)14(16(10)21)18-6-7-18/h2-3,19H,4-8H2,1H3