ethyl 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H15BrN2O7 MolecularWeight: 451.2249

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2Br)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2Br)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrN2O7/c1-2-26-18(23)11-5-10(6-12(7-11)21(24)25)17(22)20-14-9-16-15(8-13(14)19)27-3-4-28-16/h5-9H,2-4H2,1H3,(H,20,22)