sodium 4-[5-azanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate

Systemtic Name: sodium 4-[5-azanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoate Openeye Name: sodium 4-(5-amino-1,3-dioxo-benzo[de]isoquinolin-2-yl)butanoate CAS Name: sodium 4-(5-amino-1,3-dioxo-2-benzo[de]isoquinolinyl)butanoate IUPAC Name: sodium 4-(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate Traditional Name: sodium 4-(5-amino-1,3-diketo-benzo[de]isoquinolin-2-yl)butyrate Formula: C16H13N2NaO4 MolecularWeight: 320.27519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCCC(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCCC(=O)[O-])N.[Na+]

InChI

InChI=1S/C16H14N2O4.Na/c17-10-7-9-3-1-4-11-14(9)12(8-10)16(22)18(15(11)21)6-2-5-13(19)20;/h1,3-4,7-8H,2,5-6,17H2,(H,19,20);/q;+1/p-1