ethyl 3-[(6-bromanyl-8-methoxy-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(3-nitrophenyl)propanoate

Systemtic Name: ethyl 3-[(6-bromanyl-8-methoxy-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(3-nitrophenyl)propanoate Openeye Name: ethyl 3-[(6-bromo-8-methoxy-2-oxo-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate CAS Name: 3-[[(6-bromo-8-methoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[(6-bromo-8-methoxy-2-oxochromene-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate Traditional Name: 3-[(6-bromo-2-keto-8-methoxy-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propionic acid ethyl ester Formula: C22H19BrN2O8 MolecularWeight: 519.29886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)Br

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)Br

InChI

InChI=1S/C22H19BrN2O8/c1-3-32-19(26)11-17(12-5-4-6-15(8-12)25(29)30)24-21(27)16-9-13-7-14(23)10-18(31-2)20(13)33-22(16)28/h4-10,17H,3,11H2,1-2H3,(H,24,27)