5-methoxy-3-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-1H-indole-2-carboxylate

Systemtic Name: 5-methoxy-3-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-1H-indole-2-carboxylate Openeye Name: 5-methoxy-3-[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)ethyl]-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[2-(4-nitro-1,3-dioxo-2-isoindolyl)ethyl]-1H-indole-2-carboxylate IUPAC Name: 5-methoxy-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylate Traditional Name: 3-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)ethyl]-5-methoxy-1H-indole-2-carboxylate Formula: C20H14N3O7- MolecularWeight: 408.34106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H15N3O7/c1-30-10-5-6-14-13(9-10)11(17(21-14)20(26)27)7-8-22-18(24)12-3-2-4-15(23(28)29)16(12)19(22)25/h2-6,9,21H,7-8H2,1H3,(H,26,27)/p-1