2-(1,3-benzodioxol-5-ylamino)-3-chloranyl-naphthalene-1,4-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylamino)-3-chloranyl-naphthalene-1,4-dione Openeye Name: 2-(1,3-benzodioxol-5-ylamino)-3-chloro-naphthalene-1,4-dione CAS Name: 2-(1,3-benzodioxol-5-ylamino)-3-chloronaphthalene-1,4-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylamino)-3-chloronaphthalene-1,4-dione Traditional Name: 2-(1,3-benzodioxol-5-ylamino)-3-chloro-1,4-naphthoquinone Formula: C17H10ClNO4 MolecularWeight: 327.7186

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C17H10ClNO4/c18-14-15(17(21)11-4-2-1-3-10(11)16(14)20)19-9-5-6-12-13(7-9)23-8-22-12/h1-7,19H,8H2