[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H19N3O6/c1-28-18-7-6-14(23(26)27)10-16(18)20(25)29-12-19(24)21-9-8-13-11-22-17-5-3-2-4-15(13)17/h2-7,10-11,22H,8-9,12H2,1H3,(H,21,24)