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

Systemtic Name: ethyl 3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-3-28-21(25)16-9-15(10-17(11-16)23(26)27)20(24)22-13(2)14-5-6-18-19(12-14)30-8-4-7-29-18/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,22,24)