1,3-benzothiazol-2-ylmethyl 4-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoate CAS Name: 4-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate Traditional Name: 4-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C27H15N3O6S MolecularWeight: 509.4895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)N4C(=O)C5=C6C(=C(C=C5)[N+](=O)[O-])C=CC=C6C4=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)N4C(=O)C5=C6C(=C(C=C5)[N+](=O)[O-])C=CC=C6C4=O

InChI

InChI=1S/C27H15N3O6S/c31-25-18-5-3-4-17-21(30(34)35)13-12-19(24(17)18)26(32)29(25)16-10-8-15(9-11-16)27(33)36-14-23-28-20-6-1-2-7-22(20)37-23/h1-13H,14H2