[1-[4,7-bis(chloranyl)-1,3-bis(oxidanylidene)-2-prop-2-enoxy-benzo[de]isoquinolin-6-yl]pyrrolidin-3-yl]carbamic acid

Systemtic Name: [1-[4,7-bis(chloranyl)-1,3-bis(oxidanylidene)-2-prop-2-enoxy-benzo[de]isoquinolin-6-yl]pyrrolidin-3-yl]carbamic acid Openeye Name: [1-(2-allyloxy-4,7-dichloro-1,3-dioxo-benzo[de]isoquinolin-6-yl)pyrrolidin-3-yl]carbamic acid CAS Name: [1-(4,7-dichloro-1,3-dioxo-2-prop-2-enoxy-6-benzo[de]isoquinolinyl)-3-pyrrolidinyl]carbamic acid IUPAC Name: [1-(4,7-dichloro-1,3-dioxo-2-prop-2-enoxybenzo[de]isoquinolin-6-yl)pyrrolidin-3-yl]carbamic acid Traditional Name: [1-(2-allyloxy-4,7-dichloro-1,3-diketo-benzo[de]isoquinolin-6-yl)pyrrolidin-3-yl]carbamic acid Formula: C20H17Cl2N3O5 MolecularWeight: 450.27208

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Descriptors Computed from Structure

Canonical SMILES:

C=CCON1C(=O)C2=C3C(=C(C=C2)Cl)C(=CC(=C3C1=O)Cl)N4CCC(C4)NC(=O)O

Isomeric SMILES

C=CCON1C(=O)C2=C3C(=C(C=C2)Cl)C(=CC(=C3C1=O)Cl)N4CCC(C4)NC(=O)O

InChI

InChI=1S/C20H17Cl2N3O5/c1-2-7-30-25-18(26)11-3-4-12(21)16-14(8-13(22)17(15(11)16)19(25)27)24-6-5-10(9-24)23-20(28)29/h2-4,8,10,23H,1,5-7,9H2,(H,28,29)