[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C21H21N3O5/c1-4-13-6-5-7-15-17(11-22-20(13)15)19(25)12-29-21(26)16-10-14(24(27)28)8-9-18(16)23(2)3/h5-11,22H,4,12H2,1-3H3