(4-aminocarbonyl-2-nitro-phenyl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C19H19BrN2O7 MolecularWeight: 467.26736

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19BrN2O7/c1-3-6-28-17-14(20)7-13(9-16(17)27-2)19(24)29-10-12-5-4-11(18(21)23)8-15(12)22(25)26/h4-5,7-9H,3,6,10H2,1-2H3,(H2,21,23)