5-azanyl-2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-5-oxo-pentanoic acid CAS Name: 5-amino-2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-5-oxopentanoic acid IUPAC Name: 5-amino-2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-5-oxopentanoic acid Traditional Name: 5-amino-2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)-5-keto-valeric acid Formula: C17H13N3O7 MolecularWeight: 371.30102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O7/c18-13(21)5-4-12(17(24)25)19-15(22)10-3-1-2-8-6-9(20(26)27)7-11(14(8)10)16(19)23/h1-3,6-7,12H,4-5H2,(H2,18,21)(H,24,25)