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

Systemtic Name: 3-acetamido-5-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoic acid Openeye Name: 3-acetamido-5-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoic acid CAS Name: 3-acetamido-5-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid IUPAC Name: 3-acetamido-5-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid Traditional Name: 3-acetamido-5-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)benzoic acid Formula: C21H13N3O7 MolecularWeight: 419.34382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H13N3O7/c1-10(25)22-13-5-12(21(28)29)7-14(8-13)23-19(26)16-4-2-3-11-6-15(24(30)31)9-17(18(11)16)20(23)27/h2-9H,1H3,(H,22,25)(H,28,29)