(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C20H15BrN2O6 MolecularWeight: 459.2469

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H15BrN2O6/c21-13-2-5-15-12(8-19(24)29-18(15)9-13)10-28-20(25)11-1-6-16(22-14-3-4-14)17(7-11)23(26)27/h1-2,5-9,14,22H,3-4,10H2