ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-5-nitro-benzoate

Systemtic Name: ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-5-nitro-benzoate Openeye Name: ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-5-nitro-benzoic acid ethyl ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O7/c1-2-26-19(23)13-8-12(9-15(10-13)21(24)25)18(22)20-14-4-5-16-17(11-14)28-7-3-6-27-16/h4-5,8-11H,2-3,6-7H2,1H3,(H,20,22)