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

Systemtic Name: methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O7/c1-25-18(22)12-7-11(8-14(9-12)20(23)24)17(21)19-13-3-4-15-16(10-13)27-6-2-5-26-15/h3-4,7-10H,2,5-6H2,1H3,(H,19,21)