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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

InChI

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