ethyl 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C23H24N2O7 MolecularWeight: 440.44586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O7/c1-2-30-23(27)17-11-16(12-18(13-17)25(28)29)22(26)24-8-3-5-19(24)15-6-7-20-21(14-15)32-10-4-9-31-20/h6-7,11-14,19H,2-5,8-10H2,1H3/t19-/m0/s1