2-chloranyl-3-(3-oxidanylpropylamino)-4a,8a-dihydronaphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-(3-oxidanylpropylamino)-4a,8a-dihydronaphthalene-1,4-dione Openeye Name: 2-chloro-3-(3-hydroxypropylamino)-4a,8a-dihydronaphthalene-1,4-dione CAS Name: 2-chloro-3-(3-hydroxypropylamino)-4a,8a-dihydronaphthalene-1,4-dione IUPAC Name: 2-chloro-3-(3-hydroxypropylamino)-4a,8a-dihydronaphthalene-1,4-dione Traditional Name: 2-chloro-3-(3-hydroxypropylamino)-4a,8a-dihydronaphthalene-1,4-quinone Formula: C13H14ClNO3 MolecularWeight: 267.70816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)C(=O)C(=C(C2=O)NCCCO)Cl

Isomeric SMILES

C1=CC2C(C=C1)C(=O)C(=C(C2=O)NCCCO)Cl

InChI

InChI=1S/C13H14ClNO3/c14-10-11(15-6-3-7-16)13(18)9-5-2-1-4-8(9)12(10)17/h1-2,4-5,8-9,15-16H,3,6-7H2