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

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C18H13BrN2O6 MolecularWeight: 433.20962

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN2O6/c1-20-14-5-2-10(6-15(14)21(24)25)18(23)26-9-11-7-17(22)27-16-8-12(19)3-4-13(11)16/h2-8,20H,9H2,1H3